X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 9.0 293 8 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 Bicine/NaOH pH 9.0, 20 %w/v PEG 6000, 0.2 M MgCl2, 2 mM ADPNP
Unit Cell:
a: 70.730 Å b: 84.250 Å c: 236.250 Å α: 93.250° β: 94.820° γ: 89.070°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.50 Solvent Content: 50.77
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 3.1300 49.3800 92750 4477 96.9500 0.2249 0.2645 55.2702
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
3.130 49.38 97.100 0.222 ? 3.580 1.800 ? 92887 ? ? 54.120
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 3.130 3.210 96.800 ? ? 0.750 1.670 ?
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 0.999860 SLS X10SA
Software
Software Name Purpose Version
XSCALE data scaling .
PHENIX refinement 1.21.2_5419
PDB_EXTRACT data extraction 3.28
XDS data reduction .
PHASER phasing .
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