4ZEB
PBP AccA from A. tumefaciens C58 in complex with agrocinopine A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-12-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 177.210, 51.240, 119.950 |
| Unit cell angles | 90.00, 114.33, 90.00 |
Refinement procedure
| Resolution | 37.800 - 1.890 |
| R-factor | 0.174 |
| Rwork | 0.172 |
| R-free | 0.20000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4OUP |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.060 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.010 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Number of reflections | 78059 | |
| <I/σ(I)> | 7.87 | |
| Completeness [%] | 98.8 | 95.8 |
| Redundancy | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 15% PEG 20K, 0.1M MES PH 6.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K |
