1P77
CRYSTAL STRUCTURE OF SHIKIMATE DEHYDROGENASE (AROE) FROM HAEMOPHILUS INFLUENZAE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 200 |
Detector technology | CCD |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 84.054, 82.728, 82.365 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.950 |
R-factor | 0.20494 |
Rwork | 0.203 |
R-free | 0.24400 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1p74 |
RMSD bond length | 0.016 |
RMSD bond angle | 2.000 * |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.133 | 0.525 |
Total number of observations | 76173 * | |
Number of reflections | 21069 | |
<I/σ(I)> | 9.8 | 2 |
Completeness [%] | 99.1 | 92 |
Redundancy | 3.6 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.8 * | 4 * | 12% PEG 8000, 0.15 M Ca Acetate, 0.1 M Imidazole, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | sodium citrate | 1.0 (M) | |
2 | 1 | reservoir | CHES | 0.1 (M) | pH8.8 |
3 | 1 | drop | protein | 10 (mg/ml) |