X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.5 293.0 40%(v/v) PEG 400, 0.1M Acetate, pH 4.5 (Wizard Cryo II-38), OIL-BATCH, temperature 293.0K
Unit Cell:
a: 112.770 Å b: 112.770 Å c: 122.526 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 4
Crystal Properties:
Matthew's Coefficient: 2.49 Solvent Content: 50.57
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 MAD THROUGHOUT 1.60 20.00 186624 9899 97.71 0.17617 0.20084 21.454
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
1.6 50.0 99.7 0.108 ? ? 7.0 201326 200701 -3 ? ?
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 1.66 97.1 ? ? ? 4.3 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 120 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON SPRING-8 BEAMLINE BL26B1 0.9781, 0.900, 0.9793 SPring-8 BL26B1
Software
Software Name Purpose Version
REFMAC refinement 5.2.0019
ADSC data collection Quantum
HKL-2000 data reduction .
SCALEPACK data scaling .
SOLVE phasing .
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