8EP7
Crystal Structure of the Ketol-acid Reductoisomerase from Bacillus anthracis in complex with NADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-11-15 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97929 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 126.575, 131.860, 132.614 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.730 - 2.200 |
| R-factor | 0.2191 |
| Rwork | 0.217 |
| R-free | 0.26190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4tsk |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.661 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.096 | 1.191 |
| Number of reflections | 56648 | 2774 |
| <I/σ(I)> | 22.1 | 1.3 |
| Completeness [%] | 99.9 | 99 |
| Redundancy | 6.4 | 4.2 |
| CC(1/2) | 0.997 | 0.560 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.2 M lithium acetate, 2.2 M ammonium sulfate |
