3RSI
The structure of a putative enoyl-CoA hydratase/isomerase from Mycobacterium abscessus ATCC 19977 / DSM 44196
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-01-23 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.850, 121.670, 64.550 |
Unit cell angles | 90.00, 96.65, 90.00 |
Refinement procedure
Resolution | 19.970 - 2.000 |
R-factor | 0.1521 |
Rwork | 0.150 |
R-free | 0.19540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3r9t |
RMSD bond length | 0.012 |
RMSD bond angle | 1.276 |
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] | 64.120 | 64.120 | 2.050 |
High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
Rmerge | 0.063 | 0.021 | 0.174 |
Number of reflections | 47423 | 1056 | 5441 |
<I/σ(I)> | 18.07 | 52.28 | 5.92 |
Completeness [%] | 96.9 | 97 | 76 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 289 | 20% PEG8000, 0.1M CHES pH9.5. Cryo protected with 25% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 289K |