5LPA
AadA E87Q in complex with ATP, calcium and dihydrostreptomycin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-04-13 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.873 |
Spacegroup name | P 32 |
Unit cell lengths | 82.885, 82.885, 79.782 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.442 - 1.400 |
R-factor | 0.1476 |
Rwork | 0.146 |
R-free | 0.17820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5g4a |
RMSD bond length | 0.014 |
RMSD bond angle | 1.381 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.442 | 1.500 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.074 | 0.680 |
Number of reflections | 120821 | |
<I/σ(I)> | 11.4 | 2.14 |
Completeness [%] | 100.0 | 100 |
Redundancy | 5.19 | 5.18 |
CC(1/2) | 0.998 | 0.727 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 281 | 20% (w/v) PEG 6000, 0.2 M Calcium chloride, 0.1 M Hepes pH 7.5 |