5KEI
Mycobacterium smegmatis MbtA apo structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-02-02 |
| Detector | RAYONIX MX325HE |
| Wavelength(s) | 0.97931 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.362, 85.746, 104.665 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.098 - 2.325 |
| R-factor | 0.1923 |
| Rwork | 0.189 |
| R-free | 0.24450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mdf |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.169 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.098 | 2.470 |
| High resolution limit [Å] | 2.325 | 2.325 |
| Rmerge | 0.128 | 0.793 |
| Number of reflections | 41974 | |
| <I/σ(I)> | 8.74 | 1.63 |
| Completeness [%] | 99.6 | 98.8 |
| Redundancy | 3.9 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.1 M bis-tris (pH 6.5), 0.4 M sodium chloride, 17.5 % (w/v) polyethylene glycol 3350 |
