1GUG
MopII from Clostridium pasteurianum complexed with tungstate
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 |
| Collection date | 2001-02-15 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 56.373, 78.514, 94.839 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.610 - 1.600 |
| R-factor | 0.1557 |
| Rwork | 0.154 |
| R-free | 0.18254 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.300 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.068 | 0.264 |
| Total number of observations | 405754 * | |
| Number of reflections | 53578 | |
| <I/σ(I)> | 14.7 | 4.3 |
| Completeness [%] | 93.6 | 90.4 |
| Redundancy | 1.9 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 * | 293 * | Harrison, J.A., (2001) Acta Crystallogr., D57, 1715. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | 8 (mM) | fivefold molar excess relative to MopII | |
| 2 | 1 | reservoir | HEPES | 95 (mM) | pH7.5 |
| 3 | 1 | reservoir | PEG400 | 26.6 (%(w/v)) | |
| 4 | 1 | reservoir | glycerol | 5 (%(w/v)) | |
| 5 | 1 | reservoir | 190 (mM) | ||
| 6 | 1 | drop | protein | 30 (mg/ml) |
