3NO9
Crystal Structure of apo fumarate hydratase from Mycobacterium tuberculosis
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 | 2007-04-17 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 271.224, 96.555, 89.889 |
| Unit cell angles | 90.00, 102.99, 90.00 |
Refinement procedure
| Resolution | 48.520 - 2.480 |
| R-factor | 0.208 |
| Rwork | 0.206 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yfe |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.058 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.6.1_357)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.523 | 2.590 |
| High resolution limit [Å] | 2.480 | 2.480 |
| Rmerge | 0.151 | 0.414 |
| Number of reflections | 70730 | |
| <I/σ(I)> | 8.6 | 2.39 |
| Completeness [%] | 88.5 | 71.9 |
| Redundancy | 3.1 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.5 | 293 | 18% PEG 400, 0.1M sodium acetate pH 4.5, 0.2M calcium chloride, drop ratio 1:1, protein concentration 8mg/ml, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
