X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.0 292 220 mM sodium malonate, 22% PEG 3350
Unit Cell:
a: 26.131 Å b: 47.258 Å c: 46.402 Å α: 90.000° β: 103.250° γ: 90.000°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.08 Solvent Content: 40.78
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 THROUGHOUT 1.5900 45.1700 14478 742 97.3000 0.1828 0.2305 26.6027
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
1.590 47.260 97.500 0.032 ? 20.700 3.300 ? 14499 ? ? 18.260
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 1.590 1.620 94.300 ? ? ? 3.100 ?
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 1.11583 ALS 8.3.1
Software
Software Name Purpose Version
PHENIX refinement 1.20.1_4487
Aimless data scaling 0.8.2
PDB_EXTRACT data extraction 3.28
XDS data reduction Jun 30, 2023
PHASER phasing 2.8.3
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