X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 295 17%PEG 3350, 0.25 M Li2SO4, 1.8 mM NADP+, 0.1 M BIS TRIS pH 5.5
Unit Cell:
a: 158.887 Å b: 158.887 Å c: 96.091 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 65 2 2
Crystal Properties:
Matthew's Coefficient: 4.95 Solvent Content: 75.16
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 FREE R-VALUE 2.40 45.87 28325 1403 99.44 0.1603 0.1966 39.56
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
2.399 45.87 99.44 ? ? 22.38 2.0 ? 28335 ? ? 34.92
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 2.399 2.485 ? ? ? ? ? ?
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 0.97856 APS 21-ID-F
Software
Software Name Purpose Version
PHENIX refinement 1.16_3549
HKL-2000 data reduction .
HKL-2000 data scaling .
PHASER phasing .
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