5LWL
MaeR D54A mutant response regulator bound to sulfate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-04-21 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97627 |
Spacegroup name | I 41 |
Unit cell lengths | 76.638, 76.638, 149.261 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 68.180 - 3.100 |
R-factor | 0.2297 |
Rwork | 0.225 |
R-free | 0.28510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5lwk |
RMSD bond length | 0.008 |
RMSD bond angle | 1.291 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 68.176 | 41.731 | 3.270 |
High resolution limit [Å] | 3.100 | 9.800 | 3.100 |
Rmerge | 0.023 | 0.540 | |
Rmeas | 0.074 | 0.028 | 0.659 |
Rpim | 0.041 | 0.015 | 0.373 |
Total number of observations | 23722 | 755 | 3367 |
Number of reflections | 7772 | ||
<I/σ(I)> | 11.2 | 42 | 2.2 |
Completeness [%] | 99.2 | 96.8 | 99.1 |
Redundancy | 3.1 | 3 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294 | 1M lithium sulfate 0.5M ammonium sulfate 0.1M sodium citrate |