5WOQ
Crystal structure of an XRE family protein transcriptional regulator from Mycobacterium smegmatis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-06-23 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 101.500, 54.870, 60.090 |
| Unit cell angles | 90.00, 117.10, 90.00 |
Refinement procedure
| Resolution | 31.740 - 1.950 |
| R-factor | 0.1958 |
| Rwork | 0.192 |
| R-free | 0.23650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f51 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.713 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12_2829)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.031 | 0.494 |
| Number of reflections | 23311 | 1720 |
| <I/σ(I)> | 26.54 | 3.17 |
| Completeness [%] | 99.6 | 99.7 |
| Redundancy | 4.986 | 5.018 |
| CC(1/2) | 1.000 | 0.893 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 289 | MysmA.01657.a.B1.PS38057 at 18.6 mg/mL against JCSG+ F3 0.1 M Tris pH 8.0, 20% MPD, crystal tracking ID 285293f3, unique puck ID quf9-9 |
