6HM2
Structure in P1 form of the PBP AgtB in complex with agropinic acid from A.tumefacien R10
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 | 2015-03-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 |
| Unit cell lengths | 40.570, 86.310, 106.520 |
| Unit cell angles | 71.14, 81.00, 76.32 |
Refinement procedure
| Resolution | 49.730 - 1.740 |
| R-factor | 0.175 |
| Rwork | 0.174 |
| R-free | 0.20100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5l9g |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.980 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.850 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Number of reflections | 129664 | |
| <I/σ(I)> | 7.58 | |
| Completeness [%] | 95.6 | |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 292 | PEG 8K, 0.1 M Tris, 0.2 M CaCl2 |
