1GRR
CHLORAMPHENICOL PHOSPHOTRANSFERASE IN COMPLEX WITH 2-Nac-CHLORAMPHENICOL FROM STREPTOMYCES VENEZUELAE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Spacegroup name | I 41 3 2 |
| Unit cell lengths | 200.000, 200.000, 200.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.000 * - 3.100* |
| R-factor | 0.226 * |
| Rwork | 0.278 |
| R-free | 0.25600 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qhn |
| RMSD bond length | 0.006 * |
| RMSD bond angle | 1.100 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (0.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 3.210 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.167 | 0.323 |
| Total number of observations | 229617 * | |
| Number of reflections | 12472 * | |
| <I/σ(I)> | 13.9 | |
| Completeness [%] | 98.0 | 0.9 |
| Redundancy | 18.41 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 | pH 7.50 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris-HCl | 50 (mM) | pH7.5 |
| 2 | 1 | drop | ammonium sulfate | 0.4 (M) | |
| 3 | 1 | drop | protein | 7.5 (mg/ml) | |
| 4 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH7. |
| 5 | 1 | reservoir | ammonium sulfate | 1.6 (M) | |
| 6 | 1 | reservoir | acetonitrile | 4 (%) | |
| 7 | 1 | reservoir | ligand | 2 (mM) |
