1YRL
Escherichia coli ketol-acid reductoisomerase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2003-09-26 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 63 |
Unit cell lengths | 226.882, 226.882, 118.853 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.480 - 2.600 |
R-factor | 0.227 |
Rwork | 0.223 |
R-free | 0.26600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qmg |
RMSD bond length | 0.007 |
RMSD bond angle | 1.220 |
Data reduction software | CrystalClear (v.1.3.5) |
Data scaling software | CrystalClear (V. 1.35 (MSC/RIGAKU)) |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.480 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.074 | 0.300 |
Number of reflections | 106858 | |
<I/σ(I)> | 20.9 | 5.1 |
Completeness [%] | 99.8 | 98.5 |
Redundancy | 8.6 | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 291 | ammonium sulfate, sodium bicine, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 291.0K |