4M9C
WeeI from Acinetobacter baumannii AYE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-04-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 148.289, 148.289, 182.413 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.500 - 2.100 |
| R-factor | 0.1925 |
| Rwork | 0.191 |
| R-free | 0.22640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bsw |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.096 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.500 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 180938 | |
| <I/σ(I)> | 2.2 | |
| Completeness [%] | 100.0 | 97.6 |
| Redundancy | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 0.1 M sodium acetate trihydrate, 3.0 M NaCl, 0.7% 1-butanol, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
