NUCLEARDISTRIBUTIONPROTEINNUDE-LIKE1 / PROTEIN NUDEL / NUDEL
Mass: 22674.662 Da / Num. of mol.: 2 / Fragment: COILED-COIL DOMAIN, RESIDUES 8-193 / Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.) RATTUS NORVEGICUS (Norway rat) / Plasmid: PHIS PARALLEL 1 / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) RIPL / References: UniProt: Q78PB6
Compound details
ENGINEERED RESIDUE IN CHAIN A, LEU 24 TO MSE ENGINEERED RESIDUE IN CHAIN A, VAL 134 TO MSE ...ENGINEERED RESIDUE IN CHAIN A, LEU 24 TO MSE ENGINEERED RESIDUE IN CHAIN A, VAL 134 TO MSE ENGINEERED RESIDUE IN CHAIN B, LEU 24 TO MSE ENGINEERED RESIDUE IN CHAIN B, VAL 134 TO MSE
Sequence details
METHIONINES INTRODUCED FOR PHASING PURPOSES
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Experimental details
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Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 1
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Sample preparation
Crystal
Density Matthews: 5.65 Å3/Da / Density % sol: 56.5 % / Description: NONE
Crystal grow
pH: 6 Details: 18-22% TERT-BUTANOL, 100 MM SODIUM CITRATE PH 6.0, 10 MM COCL2, AND 10 MM SPERMINE. BEFORE FREEZING, TERT-BUTANOL WAS SLOWLY EXCHANGED FOR 30% MPD
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Data collection
Diffraction
ID
Mean temperature (K)
Crystal-ID
1
110
1
2
1
Diffraction source
Source
Site
Beamline
Type
ID
Wavelength
Wavelength (Å)
ROTATING ANODE
ENRAF-NONIUS FR591
1
1.5418
SYNCHROTRON
APS
22-ID
2
0.97928, 0.97945, 0.97175
Detector
Type
ID
Detector
Date
Details
RIGAKU IMAGE PLATE
1
IMAGE PLATE
Dec 15, 2005
MIRRORS
2
IMAGE PLATE
Radiation
ID
Protocol
Monochromatic (M) / Laue (L)
Scattering type
Wavelength-ID
1
SINGLEWAVELENGTH
M
x-ray
1
2
M
x-ray
1
Radiation wavelength
ID
Wavelength (Å)
Relative weight
1
1.5418
1
2
0.97928
1
3
0.97945
1
4
0.97175
1
Reflection
Resolution: 2.25→50 Å / Num. obs: 23115 / % possible obs: 96.2 % / Redundancy: 3.9 % / Rmerge(I) obs: 0.08 / Net I/σ(I): 9.8
Reflection shell
Resolution: 2.25→2.33 Å / Redundancy: 3.2 % / Rmerge(I) obs: 0.47 / Mean I/σ(I) obs: 2.34 / % possible all: 94.7
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Processing
Software
Name
Version
Classification
REFMAC
5.2.0019
refinement
HKL-2000
datareduction
HKL-2000
datascaling
SOLVE
phasing
Refinement
Method to determine structure: MAD Starting model: NONE Resolution: 2.24→123.09 Å / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.29
1172
5.1 %
RANDOM
Rwork
0.253
-
-
-
obs
0.255
21863
95.3 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK