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 |
