X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 0.1M TRIS/HEPES, 25-30% PEG3350, pH 7.5-8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Unit Cell:
a: 51.65 Å b: 52.95 Å c: 89.68 Å α: 75.4° β: 74.2° γ: 86.1°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 1.98 Solvent Content: 37.85
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 ? 2.833 29.243 20373 1042 96.870 0.209 0.251 59.860
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
2.820 50.000 95.800 0.062 ? 12.600 3.900 ? 20391 ? ? ?
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 2.82 2.92 79.50 ? ? ? 3.50 1702
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 1.5418 ? ?
Software
Software Name Purpose Version
DENZO data reduction .
SCALEPACK data scaling .
MOLREP phasing .
PHENIX refinement 1.5_2
PDB_EXTRACT data extraction 3.005
MAR345dtb data collection .
HKL-2000 data reduction .
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