7NAA
Crystal structure of Mycobacterium tuberculosis H37Rv PknF kinase domain
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] | 80 |
Detector technology | PIXEL |
Collection date | 2019-10-24 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 100.127, 239.330, 53.982 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.900 - 2.750 |
R-factor | 0.23888 |
Rwork | 0.237 |
R-free | 0.27887 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5m06 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.359 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.900 | 2.840 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.145 | 1.570 |
Rmeas | 0.159 | 1.760 |
Rpim | 0.065 | 0.760 |
Number of reflections | 34601 | 3428 |
<I/σ(I)> | 11.14 | 1.38 |
Completeness [%] | 99.4 | 98.93 |
Redundancy | 5.8 | |
CC(1/2) | 0.990 | 0.600 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291.15 | PEG 4000, Citrate buffer, Ammonium acetate pH 5.5, 10 mM Ikk16 |