3SLL
Crystal structure of a probable enoyl-CoA hydratase/isomerase from Mycobacterium abscessus
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 | 2011-02-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97740 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.090, 131.650, 148.710 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.350 |
| R-factor | 0.2054 |
| Rwork | 0.203 |
| R-free | 0.25780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3h81 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.402 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.410 | |
| High resolution limit [Å] | 2.350 | 10.510 | 2.350 |
| Rmerge | 0.134 | 0.029 | 0.469 |
| Number of reflections | 65136 | 837 | 4835 |
| <I/σ(I)> | 13.16 | 37.01 | 4.3 |
| Completeness [%] | 98.4 | 98.6 | 99.9 |
| Redundancy | 7 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | MyabA.00305.a.A1 at 34.6 mg/mL against JCSG+ screen condition B12, 0.2 M potassium citrate, 20% PEG 3350 with 25% ethylene glycol as cryo-protection reagent, crystal tracking ID 219708b12, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
