1T1R
Crystal Structure of the Reductoisomerase Complexed with a Bisphosphonate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2004-01-27 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 182.381, 59.042, 86.978 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.000 - 2.300 |
| Rwork | 0.218 |
| R-free | 0.27000 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 37891 | |
| Completeness [%] | 97.2 | 85.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 277 | ammonium sulfate, potassium sodium tartrate, glycerol, sodium citrate, DTT, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
