3QRE
Crystal structure of an enoyl-coA hydratase EchA12_1 from Mycobacterium marinum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-01-31 |
Detector | RIGAKU SATURN 944+ |
Spacegroup name | P 21 3 |
Unit cell lengths | 87.700, 87.700, 87.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.400 |
R-factor | 0.1821 |
Rwork | 0.180 |
R-free | 0.22900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3GOW |
RMSD bond length | 0.014 |
RMSD bond angle | 1.323 |
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 | 2.460 | |
High resolution limit [Å] | 2.400 | 10.740 | 2.400 |
Rmerge | 0.063 | 0.017 | 0.519 |
Number of reflections | 9040 | 120 | 667 |
<I/σ(I)> | 24.74 | 77.58 | 4.33 |
Completeness [%] | 99.9 | 97.6 | 100 |
Redundancy | 7.1 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 39.66 mg/mL MymaA.00305.a.A1 PS00827 against PACT screen condition F10: 0.02 M Na/K phosphate, 0.1 M Bis-Tris propane, pH 6.5, 20% PEG3350 with 25% ethylene glycol as cryo-protectant, crystal tracking ID 218672f10, VAPOR DIFFUSION, SITTING DROP, temperature 289K |