3DAP
C. GLUTAMICUM DAP DEHYDROGENASE IN COMPLEX WITH NADP+ AND THE INHIBITOR 5S-ISOXAZOLINE
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 290 |
| Detector technology | AREA DETECTOR |
| Collection date | 1997-06 |
| Detector | SIEMENS |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.600, 65.600, 84.500 |
| Unit cell angles | 90.00, 106.60, 90.00 |
Refinement procedure
| Resolution | 19.000 - 2.200 |
| R-factor | 0.175 |
| Rwork | 0.175 |
| R-free | 0.23300 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 25.200 * |
| Data reduction software | XENGEN |
| Data scaling software | XENGEN |
| Phasing software | X-PLOR (3.851) |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.074 * | 0.209 * |
| Total number of observations | 70458 * | |
| Number of reflections | 46303 | 4342 * |
| <I/σ(I)> | 10 | 2.5 |
| Completeness [%] | 88.9 | 77.7 |
| Redundancy | 2 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.5 | 13-17% PEG 8000 IN 100 MM NA-CACODYLATE, PH 6.5, 150-300 MM MG-ACETATE CRYSTAL |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG8000 | 12-14 (%) | |
| 2 | 1 | reservoir | magnesium acetate | 150-300 (mM) | |
| 3 | 1 | reservoir | sodium cacodylate | 100 (mM) | |
| 4 | 1 | drop | PEG8000 | 6-7 (%) | |
| 5 | 1 | drop | magnesium acetate | 75-150 (mM) | |
| 6 | 1 | drop | sodium cacodylate | 50 (mM) | |
| 7 | 1 | drop | protein | 10 (mg/ml) | |
| 8 | 1 | drop | NADP+ | 1 (mM) | |
| 9 | 1 | drop | DAP | 15 (mM) |
