1GRQ
CHLORAMPHENICOL PHOSPHOTRANSFERASE IN COMPLEX WITH P-AMINO-CHLORAMPHENICOL FROM STREPTOMYCES VENEZUELAE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX9.6 |
Synchrotron site | SRS |
Beamline | PX9.6 |
Temperature [K] | 100 |
Detector technology | CCD |
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 | 45.000 * - 2.900 |
R-factor | 0.278 |
Rwork | 0.278 |
R-free | 0.29700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qhn |
RMSD bond length | 0.008 |
RMSD bond angle | 23.500 * |
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] | 100.000 | 3.000 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.051 | 0.298 |
Total number of observations | 370300 * | |
Number of reflections | 14719 * | |
<I/σ(I)> | 48.8 | |
Completeness [%] | 95.1 | 59.3 * |
Redundancy | 25.1 |
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) |