X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.3 295 0.1M MES, 12 %(w/v) PEG 10000, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Unit Cell:
a: 45.260 Å b: 45.260 Å c: 209.895 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: H 3 2
Crystal Properties:
Matthew's Coefficient: 2.20 Solvent Content: 44.06
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 RANDOM 1.900 31.403 6807 321 98.34 0.1969 0.2339 ?
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
1.90 31.403 98.4 0.053 0.059 18.4 5.64 6812 6812 -3.0 -3.0 ?
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 1.90 1.97 87.4 ? 0.316 3.2 2.52 ?
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
ROTATING ANODE RIGAKU MICROMAX-007 HF 1.54 ? ?
Software
Software Name Purpose Version
CrystalClear data collection .
PHASER phasing MR
PHENIX refinement (phenix.refine: 1.7.3_928)
d*TREK data reduction .
d*TREK data scaling .
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