Mass: 17512.295 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) Production host: in vitro transcription vector pT7-TP(deltai) (others)
Mass: 18.015 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Formula: H2O
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Experimental details
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Experiment
Experiment
Method: X-RAY DIFFRACTION
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Sample preparation
Crystal
Density Matthews: 2.07 Å3/Da / Density % sol: 40.71 %
Crystal grow
Temperature: 296 K / Method: vapor diffusion, hanging drop / pH: 6 Details: 100 mM ammonium acetate, 5 mM Mg sulfate, 50 mM MES pH 6.0, and 600 mM NaCl
Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Mar 1, 2013
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.987 Å / Relative weight: 1
Reflection
Resolution: 2.778→75.08 Å / Num. obs: 7995 / % possible obs: 100 % / Redundancy: 7.6 % / Net I/σ(I): 20.9
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0069
refinement
iMOSFLM
datareduction
SCALA
datascaling
MOLREP
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.778→63.12 Å / Cor.coef. Fo:Fc: 0.929 / Cor.coef. Fo:Fc free: 0.852 / SU B: 9.185 / SU ML: 0.194 / Cross valid method: THROUGHOUT / ESU R Free: 0.325 Stereochemistry target values: MAXIMUM LIKELIHOOD WITH PHASES Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.22425
374
5.1 %
RANDOM
Rwork
0.17581
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obs
0.17829
6921
99.97 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK