8SZN
Crystal structure of Neisseria meningitidis ClpP protease in complex with phosphine oxide compound ACP6-12
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08B1-1 |
Synchrotron site | CLSI |
Beamline | 08B1-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-08-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.98 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 152.800, 357.780, 180.510 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.850 - 2.330 |
R-factor | 0.2248 |
Rwork | 0.222 |
R-free | 0.28160 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.064 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.850 | 2.410 |
High resolution limit [Å] | 2.330 | 2.330 |
Rmerge | 0.162 | |
Rmeas | 0.169 | |
Rpim | 0.046 | |
Number of reflections | 209451 | 20763 |
<I/σ(I)> | 11.03 | |
Completeness [%] | 98.8 | |
Redundancy | 13.4 | |
CC(1/2) | 0.998 | 0.123 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 296.15 | 0.2 M ammonium acetate; 40% 2-methyl-2,4-pentanediol |