2NQ8
Malarial enoyl acyl ACP reductase bound with INH-NAD adduct
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 121 |
Detector technology | CCD |
Detector | BRUKER SMART 2000 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 131.899, 131.899, 82.845 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 70.150 - 2.500 |
R-factor | 0.2161 |
Rwork | 0.216 |
R-free | 0.27200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1NHD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.500 |
Data reduction software | PROTEUM PLUS (PLUS) |
Data scaling software | PROTEUM PLUS (PLUS) |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.150 | 2.630 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.274 | |
Number of reflections | 24589 | |
<I/σ(I)> | 0.71 | |
Completeness [%] | 94.8 | 99.76 |
Redundancy | 15.18 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 289 | 2.4M (NH4)2SO4, 0.1M MES ( PH 5.6), VAPOR DIFFUSION, HANGING DROP, temperature 289K |