Mass: 18.015 Da / Num. of mol.: 399 / Source method: isolated from a natural source / Formula: H2O
Compound details
ENGINEERED RESIDUE IN CHAIN A, LYS 45 TO ALA ENGINEERED RESIDUE IN CHAIN A, LYS 47 TO ALA ...ENGINEERED RESIDUE IN CHAIN A, LYS 45 TO ALA ENGINEERED RESIDUE IN CHAIN A, LYS 47 TO ALA ENGINEERED RESIDUE IN CHAIN B, LYS 45 TO ALA ENGINEERED RESIDUE IN CHAIN B, LYS 47 TO ALA ENGINEERED RESIDUE IN CHAIN C, LYS 45 TO ALA ENGINEERED RESIDUE IN CHAIN C, LYS 47 TO ALA
Sequence details
MUTANT OF PDB ID 2XMQ
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Experimental details
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Experiment
Experiment
Method: X-RAY DIFFRACTION
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Sample preparation
Crystal
Density Matthews: 2.7 Å3/Da / Density % sol: 54 % / Description: NONE
Crystal grow
Details: 16% PEG 8000, 0.2 M CALCIUM ACETATE, 0.1 M MES (PH 6.8 TO 7.1)
Resolution: 2→30 Å / Cor.coef. Fo:Fc: 0.958 / Cor.coef. Fo:Fc free: 0.93 / SU B: 9.335 / SU ML: 0.126 / Cross valid method: THROUGHOUT / ESU R: 0.174 / ESU R Free: 0.164 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.23247
3217
5.1 %
RANDOM
Rwork
0.18019
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-
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obs
0.18282
60071
96.45 %
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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