X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.6 293 0.1M Sodium acetate pH 4.6, 8% (w/v) PEG 4000
Unit Cell:
a: 33.700 Å b: 36.990 Å c: 109.690 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 1.78 Solvent Content: 30.7
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 1.10 30.67 51933 5194 91.61 0.1355 0.1628 ?
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
1.10 54.845 91.6 ? ? 15.51 10.5 ? 547047 ? ? 12.12
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 1.10 1.13 52.2 ? ? 2.32 6.2 ?
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 APS BEAMLINE 21-ID-E 0.979200 APS 21-ID-E
Software
Software Name Purpose Version
PHENIX refinement (1.21.2_5419: ???)
XSCALE data scaling 20250714
XDS data reduction 20250714
PHASER phasing 2.8.3
PDB_EXTRACT data extraction .
Feedback Form
Name
Email
Institute
Feedback