Mass: 18.015 Da / Num. of mol.: 45 / Source method: isolated from a natural source / Formula: H2O
Compound details
ENGINEERED RESIDUE IN CHAIN A, CYS 15 TO SER ENGINEERED RESIDUE IN CHAIN A, CYS 48 TO ALA ...ENGINEERED RESIDUE IN CHAIN A, CYS 15 TO SER ENGINEERED RESIDUE IN CHAIN A, CYS 48 TO ALA ENGINEERED RESIDUE IN CHAIN A, CYS 102 TO ALA ENGINEERED RESIDUE IN CHAIN A, CYS 170 TO SER ENGINEERED RESIDUE IN CHAIN B, CYS 15 TO SER ENGINEERED RESIDUE IN CHAIN B, CYS 48 TO ALA ENGINEERED RESIDUE IN CHAIN B, CYS 102 TO ALA ENGINEERED RESIDUE IN CHAIN B, CYS 170 TO SER
-
Experimental details
-
Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 1
-
Sample preparation
Crystal
Density Matthews: 2.24 Å3/Da / Density % sol: 44.62 %
Crystal grow
Method: vapor diffusion, sitting drop / pH: 7.4 Details: SITTING DROP VAPOUR TECHNIQUE, 1 MICROLITRE OF PROTEIN AT 10 MG/ML IN 20 MM TRIS-HCL, PH 8.0 CONTAINING 5MM S-HEXYLGLUTATHIONE WAS MIXED WITH 1 MICROLITRE OF RESERVOIR SOLUTION, COMPOSED OF ...Details: SITTING DROP VAPOUR TECHNIQUE, 1 MICROLITRE OF PROTEIN AT 10 MG/ML IN 20 MM TRIS-HCL, PH 8.0 CONTAINING 5MM S-HEXYLGLUTATHIONE WAS MIXED WITH 1 MICROLITRE OF RESERVOIR SOLUTION, COMPOSED OF 1.5M AMMONIUM SULFATE AND 100MM SODIUM CITRATE
-
Data collection
Diffraction
Mean temperature: 100 K
Diffraction source
Source: SYNCHROTRON / Site: MAX II / Beamline: I911-2 / Wavelength: 1.042
Resolution: 2.4→20 Å / Cor.coef. Fo:Fc: 0.923 / Cor.coef. Fo:Fc free: 0.888 / SU B: 12.479 / SU ML: 0.288 / Cross valid method: THROUGHOUT / ESU R: 0.868 / ESU R Free: 0.367 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.31
808
5 %
RANDOM
Rwork
0.25
-
-
-
obs
0.253
15269
90.8 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK