7S04
1-deoxy-D-xylulose 5-phosphate reductoisomerase (IspC) from Acinetobacter baumannii in complex with FR900098, NADPH, and a magnesium ion
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-03-15 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 66.572, 118.251, 53.911 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.920 - 2.520 |
| R-factor | 0.2311 |
| Rwork | 0.230 |
| R-free | 0.24470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4zn6 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.980 |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.920 | 2.560 |
| High resolution limit [Å] | 2.520 | 2.520 |
| Rmerge | 0.249 | 0.360 |
| Number of reflections | 27390 | 14804 |
| <I/σ(I)> | 23.09 | |
| Completeness [%] | 98.6 | 98 |
| Redundancy | 5.49 | 11.06 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 289.15 | 100 mM sodium citrate:HCl, pH 5.60, 250 mM ammonium sulfate, 24% PEG4000 |
