X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 0.1M MES (pH 5.3), 1.4M NaCl, 39-41% PEG 400
Unit Cell:
a: 145.850 Å b: 100.320 Å c: 96.620 Å α: 90.000° β: 126.760° γ: 90.000°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 3.31 Solvent Content: 62.84
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 2.30 32.15 49561 2374 99.97 0.2118 0.2640 46.69
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
2.3 37.2 99.9 ? ? 3.07 2.0 ? 49573 ? ? 39.31
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 2.3 2.382 ? ? ? ? ? ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 293 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON MAX IV BEAMLINE BioMAX 0.98 MAX IV BioMAX
Software
Software Name Purpose Version
MxCuBE data collection .
CrystFEL data reduction version 9.0
PHASER phasing .
PHENIX refinement 1.17.1_3660
Coot model building .
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