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 |