X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 291.15 0.05 M KH2PO4, pH 7.0, 25% PEG3350
Unit Cell:
a: 58.553 Å b: 59.074 Å c: 96.129 Å α: 74.33° β: 87.29° γ: 75.52°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.33 Solvent Content: 47.16
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 3.250 31.531 18715 994 99.09 0.2199 0.2881 ?
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
3.25 92.53 99.2 0.173 ? 4.4 3.6 ? 18750 ? ? ?
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 3.25 3.51 98.8 ? ? 2.0 3.7 ?
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 SSRF BEAMLINE BL02U1 0.97918 SSRF BL02U1
Software
Software Name Purpose Version
PHENIX refinement (1.16_3549: ???)
PDB_EXTRACT data extraction .
XDS data reduction .
Aimless data scaling .
MOLREP phasing .
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