X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.5 293 9.4 mg/ml protein in 20mM HEPES/NaOH pH 7.4, 0.1 M NaCl, 100 mM MgCl2, 30mM NH4Cl mixed 1+1 with 0.1 M Bis-Tris/HCl pH 5.5, 25% PEG 3350, 0.2 M ammonium sulfate, 3 %w/v TMAO, 5 %w/v DDM
Unit Cell:
a: 217.790 Å b: 217.790 Å c: 133.420 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 42 21 2
Crystal Properties:
Matthew's Coefficient: 2.82 Solvent Content: 56.42
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 THROUGHOUT 2.6200 49.1210 96196 4702 99.9300 0.1846 0.2329 53.7913
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
2.620 49.12 100.000 0.334 ? 8.270 14.566 ? 96326 ? ? 52.950
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 2.620 2.690 100.000 ? ? 0.790 14.638 ?
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 SLS BEAMLINE X10SA 1.770030 SLS X10SA
Software
Software Name Purpose Version
XSCALE data scaling .
PHENIX refinement dev_2363
PDB_EXTRACT data extraction 3.28
XDS data reduction .
PHASER phasing .
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