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) |
