5W2S
Crystal Structure of Mycobacterium Tuberculosis KasA in complex with KMG
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.88557 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 77.038, 77.038, 145.807 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.218 - 2.399 |
R-factor | 0.1871 |
Rwork | 0.184 |
R-free | 0.21370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5w2o |
RMSD bond length | 0.003 |
RMSD bond angle | 0.552 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.440 |
High resolution limit [Å] | 2.399 | 6.510 | 2.400 |
Rmerge | 0.070 | 0.030 | 0.588 |
Rmeas | 0.074 | 0.032 | 0.621 |
Rpim | 0.024 | 0.010 | 0.198 |
Number of reflections | 20269 | ||
<I/σ(I)> | 6.5 | 3.7 | |
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 9.7 | 8.9 | 9.7 |
CC(1/2) | 1.000 | 0.946 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 293 | 200mM NaCl, 4% Isopropanol, 2mM Tris(2-carboxyethyl)phosphine hydrochloride (TCEP HCl) |