1CWU
BRASSICA NAPUS ENOYL ACP REDUCTASE A138G MUTANT COMPLEXED WITH NAD+ AND THIENODIAZABORINE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX9.6 |
Synchrotron site | SRS |
Beamline | PX9.6 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 104.580, 104.580, 283.980 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.500 |
Rwork | 0.211 |
R-free | 0.31400 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.400 |
Data reduction software | XDS |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | TNT |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.540 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.057 | 0.188 |
Total number of observations | 90629 * | |
Number of reflections | 25755 | |
Completeness [%] | 93.0 | 93 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.3 | 290 | 4.5 M NACL AND 50 MM NA ACETATE, pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 17K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 7.5 (mg/ml) | |
2 | 1 | drop | NAD+ | 1.5 (mM) | |
3 | 1 | drop | thienodiazaborine | 0.75 (mM) | |
4 | 1 | drop | 2.25 (M) | ||
5 | 1 | drop | sodium acetate | 50 (mM) | |
6 | 1 | reservoir | 4.5 (M) | ||
7 | 1 | reservoir | sodium acetate | 50 (mM) |