5W2Q
Crystal structure of Mycobacterium tuberculosis KasA in complex with 6U5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-04-26 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1.1808 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 77.289, 77.289, 145.126 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.199 - 1.800 |
R-factor | 0.157 |
Rwork | 0.156 |
R-free | 0.18620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4c6u |
RMSD bond length | 0.006 |
RMSD bond angle | 0.832 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.830 |
High resolution limit [Å] | 1.800 | 4.880 | 1.800 |
Rmerge | 0.050 | 0.020 | 0.847 |
Rmeas | 0.054 | 0.022 | 0.913 |
Rpim | 0.020 | 0.008 | 0.338 |
Number of reflections | 47310 | ||
<I/σ(I)> | 12.7 | 2.3 | |
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 7.3 | 6.9 | 7.3 |
CC(1/2) | 1.000 | 1.000 | 0.757 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 293 | 200mM NaCl, 8% Isopropanol, 1mM Tris(2-carboxyethyl)phosphine hydrochloride (TCEP HCl) |