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 |