7W19
Crystal Structure of Acinetobacter baumannii MPH-E
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-02-05 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.973 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 86.844, 142.172, 92.229 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.110 - 1.900 |
R-factor | 0.2262 |
Rwork | 0.224 |
R-free | 0.26470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5igj |
RMSD bond length | 0.005 |
RMSD bond angle | 0.834 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.760 | 2.170 |
High resolution limit [Å] | 1.880 | 2.660 | 1.880 |
Rmeas | 0.154 | 0.079 | |
Number of reflections | 45164 | 6048 | 13657 |
<I/σ(I)> | 4.61 | 12 | 9 |
Completeness [%] | 99.4 | 99.1 | 99.9 |
Redundancy | 10 | ||
CC(1/2) | 0.997 | 0.998 | 0.906 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 293.15 | 0.1M Bis-Tris pH 5.7, 18% PEG 3350 (25% PEG 400 as cryoprotectant) |