Mass: 18.015 Da / Num. of mol.: 143 / Source method: isolated from a natural source / Formula: H2O
Sequence details
THE FIRST TWO RESIDUES IN THE SEQRES ARE FROM THE CLONING PROCEDURE RESULTING FROM THE RESTRICTION ...THE FIRST TWO RESIDUES IN THE SEQRES ARE FROM THE CLONING PROCEDURE RESULTING FROM THE RESTRICTION ENZYME SITE.
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Experimental details
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Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 3
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Sample preparation
Crystal
Density Matthews: 1.9 Å3/Da / Density % sol: 35 %
Crystal grow
pH: 7.8 / Details: 0.1 M TRIS-HCL(PH 7.8), 30% PEG 4000,0.2 M MGCL2
Detector: CCD / Date: Nov 23, 2004 / Details: MIRROR
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.1271 Å / Relative weight: 1
Reflection
Resolution: 2→44.6 Å / Num. obs: 15232 / % possible obs: 99 % / Observed criterion σ(I): 0 / Redundancy: 6.9 % / Rmerge(I) obs: 0.11 / Net I/σ(I): 18.4
Reflection shell
Resolution: 2→2.07 Å / Redundancy: 6.5 % / Rmerge(I) obs: 0.41 / Mean I/σ(I) obs: 4.4 / % possible all: 97.7
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Processing
Software
Name
Version
Classification
REFMAC
5.2.0003
refinement
SCALEPACK
datascaling
AMoRE
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2→44.63 Å / Cor.coef. Fo:Fc: 0.952 / Cor.coef. Fo:Fc free: 0.923 / SU B: 7.632 / SU ML: 0.114 / Cross valid method: THROUGHOUT / ESU R Free: 0.18 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.233
753
5 %
RANDOM
Rwork
0.183
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obs
0.185
14442
99 %
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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