6EKV
Structure of OrfX2 from Clostridium botulinum A2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-12-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97981 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.646, 65.346, 161.455 |
Unit cell angles | 90.00, 94.52, 90.00 |
Refinement procedure
Resolution | 41.470 - 2.100 |
R-factor | 0.21097 |
Rwork | 0.208 |
R-free | 0.25921 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.444 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.470 | 2.160 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.105 | 0.941 |
Number of reflections | 48070 | 3840 |
<I/σ(I)> | 9.8 | 1.3 |
Completeness [%] | 99.4 | 98.5 |
Redundancy | 3.3 | 3.4 |
CC(1/2) | 0.995 | 0.693 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.25 | 293 | 0.2 M Li2SO4, 0.1 M Phosphate-citrate buffer pH 4.25 and 23% PEG 1000 + 2 mM TCEP |