4HDT
Crystal structure of a Carnitinyl-CoA dehydratase from Mycobacterium thermoresistibile
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-01-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9774 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.200, 62.400, 56.880 |
| Unit cell angles | 90.00, 109.59, 90.00 |
Refinement procedure
| Resolution | 45.450 - 1.600 |
| R-factor | 0.1611 |
| Rwork | 0.160 |
| R-free | 0.18920 |
| Structure solution method | Zn-SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.526 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.3.0) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 5.060 | |
| High resolution limit [Å] | 1.600 | 4.130 | |
| Rmerge | 0.053 | 0.023 | |
| Number of reflections | 41586 | 1124 | 889 |
| <I/σ(I)> | 16.77 | 44.51 | |
| Completeness [%] | 98.9 | 99.3 | |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 290 | EMBioPACT screen A12: 10mM ZnCl2, 100mM NaOAc pH 5.0, 20% PEG 6000; MythA.01530.a.A1.PW28690 at 29mg/ml; 25% EG as cryo, VAPOR DIFFUSION, SITTING DROP, temperature 290K |
