X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.0 291 11 mg/mL protein, 0.1 M MES, pH 7.0, 1.6 M ammonium sulfate, 4% 1,4-dioxane, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Unit Cell:
a: 38.515 Å b: 38.515 Å c: 100.934 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 61
Crystal Properties:
Matthew's Coefficient: 2.40 Solvent Content: 48.67
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 1.602 33.355 11067 530 99.34 0.1803 0.2160 ?
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
1.602 33.355 99.47 0.037 0.037 21.13 3.5 11176 11117 1.0 1.0 12.65
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 1.602 1.68 99.5 ? 0.216 4.9 2.7 1500
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 ESRF BEAMLINE ID29 0.9791 ESRF ID29
Software
Software Name Purpose Version
HKL-2000 data collection .
PHASER phasing .
PHENIX refinement (phenix.refine: 1.8.3_1479)
XDS data reduction .
SCALA data scaling .
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