5W2P
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 | 2016-04-25 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 1.1808 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 77.298, 77.298, 145.208 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.224 - 2.000 |
| R-factor | 0.1589 |
| Rwork | 0.157 |
| R-free | 0.18560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4c6u |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.821 |
| 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 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
| Rmerge | 0.046 | 0.026 | 0.627 |
| Rmeas | 0.051 | 0.029 | 0.686 |
| Rpim | 0.019 | 0.011 | 0.266 |
| Total number of observations | 219551 | ||
| Number of reflections | 34892 | 1732 | |
| <I/σ(I)> | 15.1 | ||
| Completeness [%] | 99.0 | 98.7 | 99.3 |
| Redundancy | 6.3 | 6.2 | 6.1 |
| CC(1/2) | 0.999 | 0.831 |
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) |
