3GTD
2.4 Angstrom crystal structure of fumarate hydratase from Rickettsia prowazekii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-13 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 144.900, 144.900, 106.210 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.740 - 2.400 |
| R-factor | 0.19437 |
| Rwork | 0.193 |
| R-free | 0.22608 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3e04 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.043 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.740 | 2.460 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.120 | 0.730 |
| Number of reflections | 49359 | |
| <I/σ(I)> | 9.49 | 2.7 |
| Completeness [%] | 97.5 | 99.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 289 | 1.4 M Na Malonate, 39.5 mg/ml, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
