1GUN
MopII from Clostridium pasteurianum complexed with molybdate (partial)
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 | 56.810, 78.380, 95.240 |
| Unit cell angles | 90.00, 90.01, 90.00 |
Refinement procedure
| Resolution | 19.610 - 1.830 |
| R-factor | 0.216 |
| Rwork | 0.215 |
| R-free | 0.24760 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gug |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.900 * |
| 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] | 20.000 | 1.900 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.055 | 0.336 |
| Total number of observations | 206409 * | |
| Number of reflections | 36043 | |
| <I/σ(I)> | 16.7 | 3.7 |
| Completeness [%] | 97.4 | 98.8 |
| Redundancy | 2.8 | 2.8 |
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) |
