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.: 1282 / Source method: isolated from a natural source / Formula: H2O
Compound details
ENGINEERED RESIDUE IN CHAIN A, MET 168 TO LEU ENGINEERED RESIDUE IN CHAIN B, MET 168 TO LEU ...ENGINEERED RESIDUE IN CHAIN A, MET 168 TO LEU ENGINEERED RESIDUE IN CHAIN B, MET 168 TO LEU ENGINEERED RESIDUE IN CHAIN C, MET 168 TO LEU ENGINEERED RESIDUE IN CHAIN D, MET 168 TO LEU ENGINEERED RESIDUE IN CHAIN E, MET 168 TO LEU ENGINEERED RESIDUE IN CHAIN F, MET 168 TO LEU
Sequence details
M144L MUTATION
-
Experimental details
-
Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 1
-
Sample preparation
Crystal
Density Matthews: 5.89 Å3/Da / Density % sol: 79.8 %
Resolution: 2.4→49.7 Å / Cor.coef. Fo:Fc: 0.965 / Cor.coef. Fo:Fc free: 0.957 / SU B: 7.553 / SU ML: 0.093 / Cross valid method: THROUGHOUT / ESU R: 0.149 / ESU R Free: 0.137 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.193
10571
5 %
RANDOM
Rwork
0.171
-
-
-
obs
0.172
199329
97.6 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK