X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.0 293 0.1M Sodium Acetate, pH 5.0 2.0 M Ammonium sulphate
Unit Cell:
a: 67.692 Å b: 67.692 Å c: 56.212 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 32 2 1
Crystal Properties:
Matthew's Coefficient: 2.01 Solvent Content: 29
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 2.13 40.57 8592 431 99.72 0.2004 0.2561 45.83
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
2.13 57 99.7 ? ? 7.1 12.8 ? 8617 ? ? 37.76
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 2.13 2.19 98.1 ? ? 1.2 13.4 ?
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 ID23-2 0.873128 ESRF ID23-2
Software
Software Name Purpose Version
PHENIX refinement 1.21.1_5286
XDS data reduction 20230630
Aimless data scaling 0.7.7
MOLREP phasing .
Feedback Form
Name
Email
Institute
Feedback