6HLX
Structure of the PBP AgaA in complex with agropinic acid from A.tumefacien R10
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-02-05 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 89.260, 89.260, 285.850 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 52.480 - 1.650 |
| R-factor | 0.157 |
| Rwork | 0.156 |
| R-free | 0.17400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3F1Q and 1DPP |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.970 |
| 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] | 52.480 | 1.740 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Number of reflections | 82437 | |
| <I/σ(I)> | 19.2 | |
| Completeness [%] | 99.9 | |
| Redundancy | 20 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 292 | 1.8 M AS, 0.1 M Mes pH 6.5, 0.2 M Zn acetate |
