5YK1
The complex structure of Rv3197-AMPPNP from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-07-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97906 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 186.734, 186.734, 67.499 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.122 - 2.103 |
| R-factor | 0.1915 |
| Rwork | 0.190 |
| R-free | 0.21560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5yjz |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.967 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.169 | 0.786 |
| Number of reflections | 40635 | 1973 |
| <I/σ(I)> | 13.7 | 3.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 14.2 | 14.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 2.0M lithium sulfate, 0.1M Tris (pH 8.5), 2% (w/v) PEG 400 |
