SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN ... SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, TWO SHEETS ARE DEFINED.
Mass: 18.015 Da / Num. of mol.: 194 / Source method: isolated from a natural source / Formula: H2O
Sequence details
GENE SEQUENCE CORRESPONDING TO RESIDUES 29-191 WAS CLONED. THE FIRST 3 RESIDUES ARE ADDITIONAL TO ...GENE SEQUENCE CORRESPONDING TO RESIDUES 29-191 WAS CLONED. THE FIRST 3 RESIDUES ARE ADDITIONAL TO GENE SEQUENCE FROM THE CLONING INTO EXPRESSION VECTOR.
-
Experimental details
-
Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 1
-
Sample preparation
Crystal
Density Matthews: 2.17 Å3/Da / Density % sol: 42.96 %
Crystal grow
Details: 2MM CACL2, 5% ISOPROPANOL AND 2M AMONNIUM SULPHATE. CRYO-PROTECTED WITH 30% GLYCEROL
Resolution: 1.8→20 Å / Num. obs: 18256 / % possible obs: 100 % / Redundancy: 35.2 % / Rmerge(I) obs: 0.06 / Net I/σ(I): 73.5
Reflection shell
Resolution: 1.8→1.86 Å / Redundancy: 35.9 % / Rmerge(I) obs: 0.4 / Mean I/σ(I) obs: 15 / % possible all: 100
-
Processing
Software
Name
Version
Classification
DENZO
datareduction
SCALEPACK
datascaling
SHARP
phasing
DM
phasing
REFMAC
5.2.0005
refinement
Refinement
Method to determine structure: COMBINED MULTIPLE WAVELENGTH, MIR Resolution: 1.8→69.01 Å / Cor.coef. Fo:Fc: 0.959 / Cor.coef. Fo:Fc free: 0.921 / SU B: 2.907 / SU ML: 0.092 / Cross valid method: THROUGHOUT / ESU R: 0.128 / ESU R Free: 0.142 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.26
928
5.1 %
RANDOM
Rwork
0.189
-
-
-
obs
0.192
17299
99.7 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK