X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 293 0.1M Tris-HCl pH 8.5, 8% PEG 8000, 0.5mM 5-pyridoxic acid, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Unit Cell:
a: 111.446 Å b: 129.526 Å c: 89.565 Å α: 90.00° β: 122.70° γ: 90.00°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 3.25 Solvent Content: 62.20
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 ? 1.770 41.822 103425 5173 99.62 0.1566 0.1788 16.9093
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
1.77 50 99.5 0.082 ? ? 3.5 ? 103436 ? ? ?
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 1.77 1.83 95.6 ? ? ? 3.1 ?
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 PHOTON FACTORY BEAMLINE AR-NW12A 1.000 Photon Factory AR-NW12A
Software
Software Name Purpose Version
HKL-2000 data collection .
MOLREP phasing .
PHENIX refinement (phenix.refine: 1.8_1069)
HKL-2000 data reduction .
HKL-2000 data scaling .
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