7K99
Crystal Structure of P. aeruginosa LpxC with N-Hydroxyformamide inhibitor 19
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-08-03 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.00 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 35.763, 158.047, 49.072 |
Unit cell angles | 90.00, 101.90, 90.00 |
Refinement procedure
Resolution | 35.510 - 1.900 |
R-factor | 0.169 |
Rwork | 0.166 |
R-free | 0.22440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5u39 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.550 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
Rmerge | 0.103 | 0.034 | 0.796 |
Rmeas | 0.115 | 0.038 | 0.898 |
Rpim | 0.050 | 0.016 | 0.404 |
Total number of observations | 199786 | ||
Number of reflections | 40247 | 2063 | 1912 |
<I/σ(I)> | 6.9 | ||
Completeness [%] | 96.5 | 97.4 | 92.7 |
Redundancy | 5 | 5 | 4.4 |
CC(1/2) | 0.997 | 0.424 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 1.6 M AmSO4, 0.5 M LiCl |