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: 25.952 Å b: 46.979 Å c: 46.483 Å α: 90.000° β: 102.960° γ: 90.000°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.05 Solvent Content: 40.12
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 1.5600 45.3000 15344 780 98.3900 0.1835 0.2297 23.8679
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
1.560 46.980 98.500 0.031 ? 20.900 3.100 ? 15369 ? ? 16.440
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 1.560 1.590 93.100 ? ? ? 2.500 ?
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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