4RBT
PduA K26A S40L mutant, from Salmonella enterica serovar Typhimurium LT2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-04-03 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97920 |
Spacegroup name | P 6 2 2 |
Unit cell lengths | 116.820, 116.820, 64.080 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 54.134 - 2.300 |
R-factor | 0.2328 |
Rwork | 0.229 |
R-free | 0.26790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ngk |
RMSD bond length | 0.010 |
RMSD bond angle | 1.280 |
Data scaling software | XSCALE |
Phasing software | PHASER (2.5.6) |
Refinement software | BUSTER-TNT |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 54.134 | 10.290 | 2.360 |
High resolution limit [Å] | 2.300 | 7.270 | 2.300 |
Rmerge | 0.102 | 0.014 | 0.014 |
Number of reflections | 11772 | 269 | 801 |
<I/σ(I)> | 15.56 | 52.21 | 1.08 |
Completeness [%] | 98.6 | 97.1 | 94.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.1M MES sodium salt pH 6.5, 2.0M Ammonium sulfate, 5% w/v PEG 400, vapor diffusion, hanging drop, temperature 298K |