Mass: 18.015 Da / Num. of mol.: 478 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interest
N
-
Experimental details
-
Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 1
-
Sample preparation
Crystal
Density Matthews: 2.69 Å3/Da / Density % sol: 54.21 %
Crystal grow
Temperature: 293 K / Method: vapor diffusion, sitting drop Details: 2ul protein at concentration 24mg/ml, and 2ul buffer (0.1 M sodium cacodylate, 2 M ammonium sulfate pH 6.5), 1uL 50% Glycerol
-
Data collection
Diffraction
Mean temperature: 100 K / Serial crystal experiment: N
Resolution: 1.87→29.26 Å / Cor.coef. Fo:Fc: 0.969 / Cor.coef. Fo:Fc free: 0.942 / SU B: 3.396 / SU ML: 0.098 / Cross valid method: THROUGHOUT / ESU R: 0.129 / ESU R Free: 0.132 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.22625
2116
5 %
RANDOM
Rwork
0.17418
-
-
-
obs
0.17688
40498
98.93 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK