Mass: 30.026 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: CH2O
-
Experimental details
-
Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 1
-
Sample preparation
Crystal
Density Matthews: 2.6 Å3/Da / Density % sol: 52.67 %
Crystal grow
Temperature: 290 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: 0.2 M MgCl2, 0.1 M Na cacodylate pH 6.5 and 31 % PEG 2000 Protein buffered in: 50mM Hepes pH 7.5 and 0.5 M NaCl
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9763 Å / Relative weight: 1
Reflection
Resolution: 2.7→55.25 Å / Num. obs: 11450 / % possible obs: 100 % / Redundancy: 5.3 % / Rpim(I) all: 0.038 / Net I/σ(I): 12.2
Reflection shell
Resolution: 2.7→2.83 Å / Redundancy: 5.4 % / Rmerge(I) obs: 0.499 / Mean I/σ(I) obs: 2.2 / Rpim(I) all: 0.499 / % possible all: 100
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0151
refinement
XDS
datareduction
xia2
datareduction
Aimless
datascaling
PHASER
phasing
BUCCANEER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.7→55.25 Å / Cor.coef. Fo:Fc: 0.957 / Cor.coef. Fo:Fc free: 0.94 / SU B: 14.808 / SU ML: 0.301 / Cross valid method: THROUGHOUT / ESU R Free: 0.368 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.26628
567
5 %
RANDOM
Rwork
0.20879
-
-
-
obs
0.2117
10865
99.99 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å