X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 9.0 293.15 0.1 M Tris-HCl pH 9.0, 0.2 M CaCl2, 29% PEG 4000, 7.5% DMSO, 200 nl protein : 100 nl reservoir
Unit Cell:
a: 61.471 Å b: 108.937 Å c: 43.459 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 21 21 2
Crystal Properties:
Matthew's Coefficient: 2.02 Solvent Content: 39.06
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 1.50 43.46 44481 2232 93.88 0.1688 0.1912 24.51
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
1.50 43.46 93.9 0.075 ? 9.62 3.0 ? 44487 ? ? 18.85
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 1.50 1.56 54.7 ? ? 1.06 1.8 ?
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 PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) 0.9919 PETRA III, EMBL c/o DESY P13 (MX1)
Software
Software Name Purpose Version
XDS data reduction BUILT=20220220
PHASER phasing .
PHENIX refinement 1.21_5207
Coot model building 0.9.8.7
XDS data scaling BUILT=20220220
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