Mass: 18.015 Da / Num. of mol.: 274 / Source method: isolated from a natural source / Formula: H2O
Compound details
ENGINEERED RESIDUE IN CHAIN A, VAL 82 TO ILE ENGINEERED RESIDUE IN CHAIN A, GLU 102 TO LYS ...ENGINEERED RESIDUE IN CHAIN A, VAL 82 TO ILE ENGINEERED RESIDUE IN CHAIN A, GLU 102 TO LYS ENGINEERED RESIDUE IN CHAIN A, ALA 182 TO VAL ENGINEERED RESIDUE IN CHAIN A, GLU 237 TO ARG ENGINEERED RESIDUE IN CHAIN A, GLN 265 TO ARG ENGINEERED RESIDUE IN CHAIN A, ALA 266 TO LYS ENGINEERED RESIDUE IN CHAIN A, THR 267 TO LYS ENGINEERED RESIDUE IN CHAIN A, MET 268 TO THR
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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: 1.9 Å3/Da / Density % sol: 34.8 % / Description: NONE
Crystal grow
pH: 6.5 Details: RESERVOIR: MES 0.1M PH 6.5, PEG5000MME 30%(W/V), AMMONIUM SULFATE 0.2M. DROP: 0.5UL PROTEIN SOLUTION AND 0.5 UL RESERVOIR
Resolution: 1.67→51.5 Å / Cor.coef. Fo:Fc: 0.957 / Cor.coef. Fo:Fc free: 0.939 / SU B: 2.256 / SU ML: 0.076 / Cross valid method: THROUGHOUT / ESU R: 0.113 / ESU R Free: 0.113 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.223
1450
5.1 %
RANDOM
Rwork
0.18
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obs
0.182
27107
98.4 %
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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: MASK