4U0G
Crystal Structure of M. tuberculosis ClpP1P2 bound to ADEP and agonist
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 | 2014-03-16 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9790 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 154.748, 187.673, 294.029 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.913 - 3.198 |
R-factor | 0.1919 |
Rwork | 0.190 |
R-free | 0.22230 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.702 |
Data reduction software | HKL-2000 (2.5.5) |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: dev_1760)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.260 |
High resolution limit [Å] | 3.198 | 8.670 | 3.198 |
Rmerge | 0.152 | 0.050 | 0.550 |
Rmeas | 0.165 | 0.054 | 0.593 |
Rpim | 0.063 | 0.021 | 0.221 |
Total number of observations | 965776 | ||
Number of reflections | 141536 | ||
<I/σ(I)> | 4.4 | ||
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 6.8 | 6.4 | 7.1 |
CC(1/2) | 0.998 | 0.878 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 1:1 mixture of reservoir (1.5 M (NH4)2SO4, 0.1 M MES) and protein solution (2.5 mg/mL ClpP1, 2.5 mg/mL ClpP2, 0.2 mM ADEP-2B5Me, 0.5 mM Z-Ile-Leu, 10 mM HEPES, 50 mM NaCl, 0.5 mM TCEP, 15% DMSO) |