X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.50 290 PROPLEX-96 A-1: 100MM HEPES PH 7.5, 20% PEG MME 2000, VAPOR DIFFUSION, SITTING DROP, temperature 290K, pH 7.50
Unit Cell:
a: 65.370 Å b: 65.370 Å c: 120.980 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 42 21 2
Crystal Properties:
Matthew's Coefficient: 2.24 Solvent Content: 45.13
Refinement Statistics
Diffraction ID Structure Solution Method Cross Validation Method Resolution Limit (High) Resolution Limit (Low) Number of Reflections (Observed) Number of Reflections (R-free) Percent Reflections (Observed) R-Work R-Free Mean Isotropic
X-RAY DIFFRACTION MOLECULAR REPLACEMENT THROUGHOUT 2.25 20 12901 637 98.3 0.189 0.246 22.78
Data Collection
Overall
Resolution Limit (High) Resolution Limit (Low) Percent Possible (Observed) R Merge I (Observed) R Sym I (Observed) Net I Over Average Sigma (I) Redundancy Number Reflections (All) Number Reflections (Observed) Observed Criterion Sigma (F) Observed Criterion Sigma (I) B (Isotropic) From Wilson Plot
2.250 50 98.3 0.08700 0.087 ? 12.9 12901 12901 0 -3.000 32.87
Highest Resolution Shell
# Resolution Limits (Low) Resolution Limits (High) Percent Possible (All) Percent Possible (Observed) R-Sym I (Observed) Mean I Over Sigma (Observed) Redundancy Number Unique Reflections (All)
1 2.25 2.31 87.2 ? ? 4.900 ? ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 100.0 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
ROTATING ANODE RIGAKU MICROMAX-007 HF 1.5418 ? ?
Software
Software Name Purpose Version
StructureStudio data collection .
PHASER phasing .
REFMAC refinement 5.5.0046
XDS data reduction .
XSCALE data scaling .
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