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 |