1RQP
Crystal structure and mechanism of a bacterial fluorinating enzyme
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-12-13 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933, 0.9786, 0.9783, 0.8984 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 75.908, 130.302, 183.435 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.000 * - 19.000* |
| R-factor | 0.16962 |
| Rwork | 0.167 |
| R-free | 0.21700 * |
| Structure solution method | MAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.650 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.000 | 1.847 |
| High resolution limit [Å] | 1.900 * | 1.900 * |
| Rmerge | 0.110 | 0.440 * |
| Number of reflections | 67204 * | |
| <I/σ(I)> | 2.8 | 1.5 |
| Completeness [%] | 94.0 | 93 * |
| Redundancy | 4.8 * | 7.7 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.8 * | 293 | Dong, C., (2003) Acta Crystallogr.,Sect.D, 59, 2292. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG1000 | 22 (%) | |
| 2 | 1 | reservoir | phosphate-citrate | 0.1 (M) | pH4.2 |
| 3 | 1 | reservoir | 0.2 (M) | ||
| 4 | 1 | drop | Tris-HCl | 25 (mM) | pH7.8 |
| 5 | 1 | drop | protein | 5 (mg/ml) |
