Mass: 18.015 Da / Num. of mol.: 289 / Source method: isolated from a natural source / Formula: H2O
-
Experimental details
-
Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 1
-
Sample preparation
Crystal
Density Matthews: 1.85 Å3/Da / Density % sol: 33.54 %
Crystal grow
Temperature: 293 K / pH: 5.5 Details: mixing 300 nl enzyme at 10 mg/ml with 100 nl of PEG3350 (25%), Sodium Chloride (0.2 M), BIS-TRIS (0.1 M), pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Monochromator: CHANNEL CUT ESRF MONOCHROMATOR AND A NEW TORODIAL FOCUSING MIRROR. Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.93 Å / Relative weight: 1
Reflection
Resolution: 1.15→79.32 Å / Num. obs: 81001 / % possible obs: 91 % / Observed criterion σ(I): 0 / Redundancy: 3.9 % / Rmerge(I) obs: 0.075 / Net I/σ(I): 12.3
Resolution: 1.15→79.32 Å / Cor.coef. Fo:Fc: 0.971 / Cor.coef. Fo:Fc free: 0.964 / SU B: 0.983 / SU ML: 0.021 / Cross valid method: THROUGHOUT / ESU R: 0.033 / ESU R Free: 0.033 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.167
3556
4.9 %
RANDOM
Rwork
0.146
-
-
-
obs
0.147
68635
97.9 %
-
all
-
76957
-
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK