X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 293 Ammonium sulfate
Unit Cell:
a: 153.543 Å b: 153.543 Å c: 126.579 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: I 4 2 2
Crystal Properties:
Matthew's Coefficient: 3.12 Solvent Content: 60.57
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 2.39 48.83 29470 1408 97.05 0.1960 0.2541 64.54
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
2.39 48.83 97.05 0.105 ? 11.58 7.4 ? 29589 ? ? 52.40
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 2.39 2.47 ? ? ? 1.17 ? ?
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 BM07 0.9795 ESRF BM07
Software
Software Name Purpose Version
MxCuBE data collection .
XDS data reduction .
XSCALE data scaling .
PHASER phasing .
Coot model building .
PHENIX refinement 1.20.1_4487
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