7M0S
N-terminal domain of PmrA from Acinetobacter baumannii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-12-01 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 32.398, 39.232, 91.266 |
Unit cell angles | 90.00, 95.66, 90.00 |
Refinement procedure
Resolution | 45.410 - 1.640 |
R-factor | 0.1769 |
Rwork | 0.174 |
R-free | 0.21360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ont |
RMSD bond length | 0.010 |
RMSD bond angle | 1.077 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX (1.18rc6-3830) |
Refinement software | PHENIX (1.18rc6-3830) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.670 |
High resolution limit [Å] | 1.640 | 1.640 |
Rmerge | 0.080 | 0.162 |
Number of reflections | 27942 | 1293 |
<I/σ(I)> | 17.828 | 10.75 |
Completeness [%] | 98.3 | 94.4 |
Redundancy | 6.1 | 5.1 |
CC(1/2) | 0.939 | 0.939 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M Lithium sulfate monohydrate, 0.1 M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3350 |