X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.5 293 8-21 mg/ml protein in 20mM HEPES/NaOH pH 7.4, 0.1 M NaCl, 100 mM MgCl2, 30mM NH4Cl mixed 1+1 with 0.2 M Ammonium acetate, 0.1 M Bis-Tris/HCl pH 5.5, 25 %w/v PEG 3350, 3 %v/v TMAO
Unit Cell:
a: 219.380 Å b: 219.380 Å c: 135.000 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 42 21 2
Crystal Properties:
Matthew's Coefficient: 2.90 Solvent Content: 57.56
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 2.0700 49.6000 198213 9818 99.8200 0.1838 0.2246 40.2590
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
2.070 49.60 99.900 0.284 ? 7.790 14.109 ? 198488 ? ? 33.860
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 2.070 2.120 100.000 ? ? 0.840 14.403 ?
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 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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