1P74
CRYSTAL STRUCTURE OF SHIKIMATE DEHYDROGENASE (AROE) FROM HAEMOPHILUS INFLUENZAE
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2001-11-08 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9786, 0.9792, 0.9537 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.220, 86.580, 92.919 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.400 |
| R-factor | 0.2305 |
| Rwork | 0.228 |
| R-free | 0.27600 * |
| Structure solution method | MAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.500 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | SHELXS |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.059 | 0.253 |
| Total number of observations | 172256 * | |
| Number of reflections | 25244 | |
| <I/σ(I)> | 9.5 | 2.9 |
| Completeness [%] | 99.8 | 99.1 |
| Redundancy | 6.8 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.8 | 4 * | 1.0 Sodium Citrate, 0.1M CHES, pH 8.8, VAPOR DIFFUSION, SITTING DROP, temperature 20K |
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) |
