4FND
Crystal structure of the Mtb enoyl CoA isomerase in complex with hydroxyhexanoyl CoA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 120 |
Detector technology | IMAGE PLATE |
Collection date | 2010-07-14 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 77.018, 77.018, 135.595 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.509 - 1.850 |
R-factor | 0.1979 |
Rwork | 0.196 |
R-free | 0.24050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4FN7 chain A |
RMSD bond length | 0.006 |
RMSD bond angle | 0.985 |
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] | 47.550 | 47.550 | 1.920 |
High resolution limit [Å] | 1.850 | 3.990 | 1.850 |
Rmerge | 0.076 | 0.036 | 0.455 |
Total number of observations | 21276 | 17444 | |
Number of reflections | 21023 | ||
<I/σ(I)> | 12.4 | 34.5 | 3.6 |
Completeness [%] | 99.9 | 99.7 | 100 |
Redundancy | 9.4 | 8.95 | 8.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 2.2M ammonium sulfate, 0.1M HEPES 7.0, and 10% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 277K |