X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.4 296 PEG 4000, Tris-HCl, pH 8.4, VAPOR DIFFUSION, SITTING DROP, temperature 296K
Unit Cell:
a: 37.58 Å b: 40.95 Å c: 48.14 Å α: 76.93° β: 74.04° γ: 64.05°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 1.90 Solvent Content: 34.61
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 MAD THROUGHOUT 1.60 8.00 28490 1535 93.10 0.18068 0.23222 25.284
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
1.6 20.0 90.4 0.033 ? 15.0 1.85 30286 30286 0.0 0.0 ?
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 1.60 1.66 79.3 ? ? 4.1 1.76 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 100 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON SPRING-8 BEAMLINE BL26B1 0.97894, 0.97910, 0.97920, 0.97500, 1.000 SPring-8 BL26B1
Software
Software Name Purpose Version
REFMAC refinement 5.1.19
d*TREK data reduction .
d*TREK data scaling .
SOLVE phasing .
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