4ZE9
Se-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 | 2013-03-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97895 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 77.690, 114.720, 109.040 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.590 - 2.650 |
| R-factor | 0.171 |
| Rwork | 0.168 |
| R-free | 0.23200 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.050 |
| 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] | 42.000 | 2.810 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Number of reflections | 14551 | |
| <I/σ(I)> | 11.78 | |
| Completeness [%] | 99.8 | 98.9 |
| Redundancy | 10.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 20% PEG 4K, 0.2M ACNH4, 0.1M NA CITRATE PH 5.6, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K |
