4FW8
Crystal structure of FABG4 complexed with Coenzyme NADH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Collection date | 2010-12-10 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 |
Unit cell lengths | 63.333, 71.304, 93.293 |
Unit cell angles | 104.99, 97.08, 93.66 |
Refinement procedure
Resolution | 19.860 - 2.790 |
R-factor | 0.1656 |
Rwork | 0.162 |
R-free | 0.23780 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.565 |
Data scaling software | SCALA (3.3.16) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 89.166 | 19.858 | 2.940 |
High resolution limit [Å] | 2.786 | 8.810 | 2.790 |
Rmerge | 0.032 | 0.503 | |
Rmeas | 0.038 | 0.584 | |
Rpim | 0.019 | 0.295 | |
Total number of observations | 4320 | 19194 | |
Number of reflections | 37439 | ||
<I/σ(I)> | 11 | 31.9 | 3 |
Completeness [%] | 96.2 | 90.7 | 89.1 |
Redundancy | 3.9 | 3.9 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.1M MES PH 6.5, 47% (v/v) POLYPROPYLENE GLYCOL P400, VAPOR DIFFUSION, HANGING DROP, temperature 298K |