4FN7
Apo Structure of the Mtb enoyol CoA isomerase (Rv0632c)
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 | 2007-07-27 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.132, 68.681, 75.570 |
| Unit cell angles | 90.00, 108.57, 90.00 |
Refinement procedure
| Resolution | 36.330 - 1.250 |
| R-factor | 0.15 |
| Rwork | 0.149 |
| R-free | 0.18300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.994 |
| Data reduction software | d*TREK (9.9L) |
| Data scaling software | d*TREK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.430 | 40.430 | 1.290 |
| High resolution limit [Å] | 1.250 | 2.690 | 1.250 |
| Rmerge | 0.050 | 0.025 | 0.463 |
| Number of reflections | 165230 | ||
| <I/σ(I)> | 10 | 34.5 | 2 |
| Completeness [%] | 96.3 | 99.2 | 93.6 |
| Redundancy | 3.68 | 3.78 | 3.68 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 20% PEG3350, 0.1M MES 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
