X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.0 293 17.5% PEG 3350, pH = 7.8, 150 mM L-Malic Acid
Unit Cell:
a: 36.567 Å b: 38.600 Å c: 59.452 Å α: 101.108° β: 93.988° γ: 101.919°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.33 Solvent Content: 47.1
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 2.80 36.91 7353 739 96.34 0.2690 0.3188 75.52
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
2.8 36.91 96.33 ? ? 8.23 1.8 ? 14388 ? ? 63.25
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 2.8 3.01 ? ? ? ? ? ?
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 ID30B 0.8856 ESRF ID30B
Software
Software Name Purpose Version
PHENIX refinement 1.21.1_5286
XDS data reduction .
XSCALE data scaling .
PHASER phasing .
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