X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.0 295 protein: 7 mg/mL in 10 mM Tris-HCl pH 8.3, 500 mM NaCl, 5 mM BME crystallization: The PACT Suite C10 (#34): 0.2 M MgCl2, 0.1 M HEPES pH 7.0, 20% (w/v) PEG 6000, VAPOR DIFFUSION, SITTING DROP, temperature 295K
Unit Cell:
a: 172.779 Å b: 117.009 Å c: 56.883 Å α: 90.00° β: 90.96° γ: 90.00°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.70 Solvent Content: 54.42
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 1.95 27.99 76977 4060 98.53 0.22288 0.25243 55.655
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
1.95 30.00 98.4 0.058 ? 19.1 3.6 81640 81640 ? -3.0 33.0
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 1.95 1.98 85.5 ? ? 2.1 2.4 3512
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 21-ID-F 0.97872 APS 21-ID-F
Software
Software Name Purpose Version
Blu-Ice data collection Max
PHASER phasing .
REFMAC refinement 5.7.0029
HKL-2000 data reduction .
HKL-2000 data scaling .
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