X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 277 0.2M Ammonium Acetate, 20-25% PEG3350 (w/v) and 0.1M MES pH 6.5-7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Unit Cell:
a: 66.270 Å b: 91.106 Å c: 95.628 Å α: 67.82° β: 86.98° γ: 73.35°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.28 Solvent Content: 46.14
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 ? 2.894 44.189 39845 1125 90.28 0.1965 0.2739 ?
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
2.894 50 94.4 0.046 ? 15.1 1.9 41551 39892 1 1 ?
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 2.90 2.95 64.5 ? ? 2.3 1.5 1388
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 APS BEAMLINE 23-ID-B 1.0 APS 23-ID-B
Software
Software Name Purpose Version
PHENIX refinement (phenix.refine: 1.6.4_486)
CNS refinement .
Blu-Ice data collection .
DENZO data reduction .
SCALEPACK data scaling .
CNS phasing .
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