Mass: 18195.141 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) HOMO SAPIENS (human) / Production host: ESCHERICHIA COLI (E. coli) / Variant (production host): Origami DE3 / References: UniProt: P55145
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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: 3 Å3/Da / Density % sol: 53 % / Description: NONE
Crystal grow
Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: NEEDLE CRYSTALS OF MANF WERE TYPICALLY OBTAINED WITHIN 1 TO 2 WEEKS AT 4 C OVER A RESERVOIR SOLUTION OF 100 MM SODIUM CACODYLATE BUFFER, PH 6.5, 0.2 M MGAC2 AND 12-18 % PEG 8000.
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.78 Å / Relative weight: 1
Reflection
Resolution: 2.8→20 Å / Num. obs: 32978 / % possible obs: 97 % / Observed criterion σ(I): -3 / Redundancy: 7 % / Rmerge(I) obs: 0.04 / Net I/σ(I): 20.1
Reflection shell
Resolution: 2.8→2.9 Å / Rmerge(I) obs: 0.54 / Mean I/σ(I) obs: 2.6 / % possible all: 94
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Processing
Software
Name
Version
Classification
REFMAC
5.2.0019
refinement
XDS
datareduction
XDS
datascaling
MOLREP
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT Starting model: CDNF N-TERMINAL DOMAIN Resolution: 2.8→19.87 Å / Cor.coef. Fo:Fc: 0.914 / Cor.coef. Fo:Fc free: 0.898 / SU B: 19.364 / SU ML: 0.369 / Cross valid method: THROUGHOUT / ESU R: 1.06 / ESU R Free: 0.408 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. DUE TO POOR ELCTRON DENSITY, RESIDUES 99 TO 137 WERE MODELLED AS POLY-ALA, EXCEPT FOR THE CYSTEINES.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.305
216
4.6 %
RANDOM
Rwork
0.28
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obs
0.281
4457
98.4 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK