3ULK
E. coli Ketol-acid reductoisomerase in complex with NADPH and Mg2+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-09-15 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 144.459, 144.459, 217.545 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.150 - 2.300 |
R-factor | 0.1774 |
Rwork | 0.174 |
R-free | 0.23590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yrl |
RMSD bond length | 0.007 |
RMSD bond angle | 1.090 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.200 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.100 | 0.416 |
Number of reflections | 59991 | |
<I/σ(I)> | 57.2 | 12.1 |
Completeness [%] | 99.9 | 100 |
Redundancy | 22 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 290 | 0.2M LiSO4, 0.1M Tris, 15% PEG4000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K |