X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 10.5 277 20% polyethylene glycol 8000, 0.1M CAPS, 0.2M NaCl, pH 10.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Unit Cell:
a: 129.611 Å b: 129.611 Å c: 72.425 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 62
Crystal Properties:
Matthew's Coefficient: 2.89 Solvent Content: 57.49
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 2.69 42.43 18432 994 99.96 0.19393 0.24816 23.486
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
2.69 50.00 100 0.170 ? ? ? ? 19445 ? 7.0 ?
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 2.69 2.74 100.0 ? ? ? ? ?
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 BL44XU 0.9 SPring-8 BL44XU
Software
Software Name Purpose Version
HKL-2000 data collection .
MOLREP phasing .
REFMAC refinement 5.6.0117
HKL-2000 data reduction .
HKL-2000 data scaling .
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