Mass: 18.015 Da / Num. of mol.: 319 / Source method: isolated from a natural source / Formula: H2O
Compound details
ENGINEERED RESIDUE IN CHAIN A, CYS 14 TO SER ENGINEERED RESIDUE IN CHAIN B, CYS 14 TO SER ...ENGINEERED RESIDUE IN CHAIN A, CYS 14 TO SER ENGINEERED RESIDUE IN CHAIN B, CYS 14 TO SER ENGINEERED RESIDUE IN CHAIN C, CYS 14 TO SER ENGINEERED RESIDUE IN CHAIN D, CYS 14 TO SER
Method: X-RAY DIFFRACTION / Number of used crystals: 1
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Sample preparation
Crystal
Density Matthews: 1.78 Å3/Da / Density % sol: 31 % / Description: NONE
Crystal grow
pH: 7.5 Details: 2 UL PROTEIN (20 MM TRIS PH 7.5, 150 MM NACL, 15 MG/ML) AND 2 UL WELL SOLUTION (12% PEG 8000), CRYOPROTECTANT: 20% PEG 4000, 10% PEG 400.
Resolution: 1.81→59.91 Å / Cor.coef. Fo:Fc: 0.962 / Cor.coef. Fo:Fc free: 0.944 / SU B: 7.128 / SU ML: 0.112 / Cross valid method: THROUGHOUT / ESU R: 0.143 / ESU R Free: 0.133 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES WITH TLS ADDED.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.22287
1952
5 %
RANDOM
Rwork
0.18337
-
-
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obs
0.18544
37033
96.16 %
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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: BABINET MODEL WITH MASK