1OCM
THE CRYSTAL STRUCTURE OF MALONAMIDASE E2 COVALENTLY COMPLEXED WITH PYROPHOSPHATE FROM BRADYRHIZOBIUM JAPONICUM
Replaces: 1GRKExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 6B |
| Synchrotron site | PAL/PLS |
| Beamline | 6B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MACSCIENCE |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 103.265, 94.427, 74.846 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.900 |
| R-factor | 0.181 |
| Rwork | 0.181 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1GR8 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.126 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.054 * | 0.239 * |
| Number of reflections | 621134 | |
| <I/σ(I)> | 17.6 | 2.95 |
| Completeness [%] | 95.2 | 87.5 |
| Redundancy | 3.5 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.4 * | 20% POLYETHYLENE GLYCOL 1000, 100 MM TRIS, PH 7.0, 10 MM PHENYLPHOSPHORODIAMIDATE |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | enzyme | 10 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 20 (mM) | |
| 3 | 1 | drop | glycerol | 15 (%) | |
| 4 | 1 | reservoir | PEG1000 | 20 (%) | |
| 5 | 1 | reservoir | Tris-HCl | 100 (mM) |
