X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 277 0.2 M NaF 25 % (w/v) PEG 3350
Unit Cell:
a: 99.863 Å b: 90.123 Å c: 51.082 Å α: 90° β: 92.92° γ: 90°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.24 Solvent Content: 44.99
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 FOURIER SYNTHESIS THROUGHOUT 1.563 66.87 62433 3280 97.9 0.1670 0.1999 21.84
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
1.563 66.867 97.9 0.1045 ? 10.44 5.75 ? 62436 ? ? ?
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 4.243 66.867 99.4 ? ? 26.75 5.49 3238
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 0.873128 ESRF ID30B
Software
Software Name Purpose Version
autoPROC data processing 1.0.5 20220608
XDS data reduction Jan 10, 2022
Aimless data scaling 0.7.9
TRUNCATE data processing 8.0.007
BUSTER refinement 2.10.4
autoPROC data reduction .
BUSTER phasing .
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