1H7Q
dTDP-MANGANESE COMPLEX OF SPSA FROM BACILLUS SUBTILIS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1998-06-01 |
| Detector | ADSC CCD |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 47.372, 142.060, 81.425 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.1931 * |
| Rwork | 0.191 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qgq |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.700 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 * | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.087 | 0.280 |
| Number of reflections | 17948 | |
| <I/σ(I)> | 11.8 | 4 |
| Completeness [%] | 99.3 | 100 |
| Redundancy | 4.5 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8 | Charnock, S.J., (1999) Acta Crystallogr., D55, 677. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 15 (mg/ml) | |
| 2 | 1 | drop | HEPES | 100 (mM) | |
| 3 | 1 | drop | 200 (mM) | ||
| 4 | 1 | reservoir | PEG8000 | 15 (%(w/v)) |
