X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 291 0.1 M HEPES, pH 7.0, 0.1 M ammonium formate , 20% Sokalan CP 7
Unit Cell:
a: 37.702 Å b: 49.042 Å c: 61.820 Å α: 93.05° β: 105.62° γ: 93.09°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 1.86 Solvent Content: 33.74
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 1.88 59.39 30336 1620 91.96 0.21700 0.23604 38.698
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
1.876 59.39 93.4 ? ? 25.8 3.3 ? 32273 ? ? ?
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 1.876 1.925 ? ? ? ? ? ?
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 BSRF BEAMLINE 3W1A 0.9793 BSRF 3W1A
Software
Software Name Purpose Version
REFMAC refinement 5.6.0117
HKL-2000 data reduction .
HKL-2000 data scaling .
BALBES phasing .
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