3QXZ
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 | 2011-02-10 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 32 |
| Unit cell lengths | 76.170, 76.170, 122.520 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.350 |
| R-factor | 0.1522 |
| Rwork | 0.151 |
| R-free | 0.16890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3GOW |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.372 |
| Data reduction software | MOSFLM |
| 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 | 1.390 | |
| High resolution limit [Å] | 1.350 | 6.040 | 1.350 |
| Rmerge | 0.055 | 0.020 | 0.490 |
| Number of reflections | 174539 | 1908 | 12980 |
| <I/σ(I)> | 15.11 | 39.16 | 2.9 |
| Completeness [%] | 99.9 | 97.1 | 99.8 |
| Redundancy | 4.5 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | MyabA.00358.c.A1 PS00900 at 53.9 mg/mL 3C cleaved against PACT screen condition H10, 0.2 M NaKHPO4, 0.1 M BisTris propane pH 6.5, 25% PEG3350 with 25% ethylene glycol as cryo-protectant, crystal tracking ID 219606h10, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
