1P3Y
MrsD from Bacillus sp. HIL-Y85/54728
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
| Synchrotron site | MPG/DESY, HAMBURG |
| Beamline | BW6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-03-12 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.05 |
| Spacegroup name | F 4 3 2 |
| Unit cell lengths | 191.769, 191.769, 191.769 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.540 |
| R-factor | 0.222 |
| Rwork | 0.221 |
| R-free | 0.25700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1g5q |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.190 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MAIN |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.680 |
| High resolution limit [Å] | 2.540 | 2.540 |
| Rmerge | 0.048 | 0.325 |
| Number of reflections | 10384 | |
| <I/σ(I)> | 24.2 | 5.4 |
| Completeness [%] | 99.4 | 99.5 |
| Redundancy | 6.7 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 8 * | 293 | KNa tartrate, pH 9.1, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | 50 (mM) | ||
| 2 | 1 | drop | Tris-HCl | 20 (mM) | pH8.0 |
| 3 | 1 | drop | protein | 10 (mg/ml) | |
| 4 | 1 | reservoir | potassium/sodium tartrate tetrahydrate | 1.2 (M) | |
| 5 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH9.1 |
