3FA4
Crystal structure of 2,3-dimethylmalate lyase, a PEP mutase/isocitrate lyase superfamily member, triclinic crystal form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-02-27 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 79.090, 115.470, 115.750 |
| Unit cell angles | 119.66, 90.71, 96.28 |
Refinement procedure
| Resolution | 46.830 - 2.180 |
| R-factor | 0.204 |
| Rwork | 0.200 |
| R-free | 0.26500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fa3 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.088 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.830 | 2.260 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Rmerge | 0.086 | 0.365 |
| Number of reflections | 170912 | |
| <I/σ(I)> | 5.2 | 1.7 |
| Completeness [%] | 93.2 | 69.7 |
| Redundancy | 2.1 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 14% PEG 6000, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
