X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 291.15 Reservoir: 1.63 M ammonium sulfate, 7.9 % v/v glycerol, 0.064 M glycine pH 9.3 Protein sample at 5 mg/ml Drop composition: 300 nL reservoir + 300 nL protein sample
Unit Cell:
a: 116.464 Å b: 116.464 Å c: 70.226 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: I 41
Crystal Properties:
Matthew's Coefficient: 2.98 Solvent Content: 58.73
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 2.00 41.83 31709 1598 99.46 0.1785 0.2153 44.05
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
2.0 58.24 100 0.198 ? 7.1 11.6 ? 31876 ? ? 34.28
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 2.00 2.05 ? ? ? 1.0 ? ?
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 0.8731 ESRF ID30B
Software
Software Name Purpose Version
PHENIX refinement 1.21.2_5419
XDS data reduction 20230630
Aimless data scaling 1.12.16
PHASER phasing 2.8.3
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