2HW2
Crystal structure of Rifampin ADP-ribosyl transferase in complex with Rifampin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-11 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 55.663, 61.041, 45.567 |
| Unit cell angles | 90.00, 91.81, 90.00 |
Refinement procedure
| Resolution | 30.180 - 1.450 |
| R-factor | 0.13698 |
| Rwork | 0.134 |
| R-free | 0.18546 |
| Structure solution method | SAD |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.186 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.180 | 1.500 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.058 | 0.544 |
| Number of reflections | 26649 | |
| <I/σ(I)> | 20.6 | 2.7 |
| Completeness [%] | 98.0 | 95.9 |
| Redundancy | 4.5 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.2 | 298 | 30% MPD, 5% PEG 8000, 0.005M magesium chloride, 0.001M rifampin, 0.03M glycylglycine, 0.05M tris, pH 8.2, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |
