3Q6I
Crystal structure of FabG4 and coenzyme binary complex
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 | 63.069, 71.027, 92.917 |
| Unit cell angles | 105.02, 97.06, 93.66 |
Refinement procedure
| Resolution | 19.780 - 2.590 |
| R-factor | 0.1713 |
| Rwork | 0.168 |
| R-free | 0.24180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lls |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.621 |
| Data scaling software | SCALA (3.3.9) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 88.799 | 19.777 | 2.730 |
| High resolution limit [Å] | 2.589 | 8.190 | 2.590 |
| Rmerge | 0.042 | 0.842 | |
| Rmeas | 0.048 | 0.979 | |
| Rpim | 0.024 | 0.498 | |
| Total number of observations | 5497 | 23917 | |
| Number of reflections | 45759 | ||
| <I/σ(I)> | 7.7 | 24.1 | 1.7 |
| Completeness [%] | 95.4 | 91.5 | 90.7 |
| Redundancy | 3.9 | 4 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.1M MES pH 6.5, 47% Polypropylene glycol , VAPOR DIFFUSION, HANGING DROP, temperature 298K |
