4FN8
Crystal structure of the Mtb enoyl CoA isomerase (Rv0632c)in complex with acetoacetyl CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-07-30 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 75.496, 75.496, 136.852 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.350 - 1.831 |
| R-factor | 0.1514 |
| Rwork | 0.149 |
| R-free | 0.18880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4FN7 subunit A |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.047 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.6.1_357) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.860 |
| High resolution limit [Å] | 1.830 | 4.970 | 1.830 |
| Rmerge | 0.060 | 0.026 | 0.331 |
| Number of reflections | 21089 | ||
| <I/σ(I)> | 17.4 | ||
| Completeness [%] | 99.9 | 98.1 | 99.9 |
| Redundancy | 7.2 | 6.6 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 1.6M ammonium sulfate, 0.1M MES 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
