X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 9.5 292 100 mM CHES, 28% PEG 3000
Unit Cell:
a: 88.742 Å b: 88.742 Å c: 39.303 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 43
Crystal Properties:
Matthew's Coefficient: 2.13 Solvent Content: 42.31
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 0.9900 44.3700 168822 8132 99.2200 0.1499 0.1639 17.8175
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
0.990 44.370 99.300 0.048 ? 14.900 6.300 ? 168919 ? ? 11.030
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 0.990 1.010 87.300 ? ? ? 4.500 ?
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 0.88557 ALS 8.3.1
Software
Software Name Purpose Version
PHENIX refinement .
Aimless data scaling 0.8.2
PDB_EXTRACT data extraction 3.28
XDS data reduction Jan 19, 2025 BUILT=20250430
PHASER phasing 2.8.3
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