X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.6 289 0.095 M sodium citrate tribasic dihydrate, pH 5.6, 19% v/v 2-propanol, 19% w/v/ polyethylene glycol 4,000, 5% glycerol
Unit Cell:
a: 129.520 Å b: 71.650 Å c: 116.600 Å α: 90.000° β: 114.983° γ: 90.000°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.63 Solvent Content: 53.23
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 1.60 64.07 127407 1987 99.92 0.1934 0.2104 34.40
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
1.60 64.07 99.9 0.05891 ? 13.04 6.2 ? 129177 ? ? 28.58
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 1.60 1.62 99.90 ? ? ? 3.8 ?
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 ALS BEAMLINE 8.3.1 1.116 ALS 8.3.1
Software
Software Name Purpose Version
PHENIX refinement 1.21.2_5419
XDS data reduction .
XSCALE data scaling .
PHASER phasing 2.8.3
Coot model building 1.1.15
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