1NBU
7,8-Dihydroneopterin Aldolase Complexed with Product From Mycobacterium Tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 200 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-01-17 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.560, 85.150, 74.790 |
| Unit cell angles | 90.00, 112.69, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 1.600 |
| R-factor | 0.177 |
| Rwork | 0.166 |
| R-free | 0.25800 * |
| Structure solution method | AB INITIO |
| Starting model (for MR) | 1dhn |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.200 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | GLRF |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 * | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.069 * | 0.500 * |
| Number of reflections | 118216 * | 111905 * |
| Completeness [%] | 99.2 | 93.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 * | 300 | PEG 4000, sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 300K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 12 (mg/ml) | |
| 2 | 1 | drop | 350 (mM) | ||
| 3 | 1 | drop | Tris-HCl | 50 (mM) | pH7.4 |
| 4 | 1 | reservoir | PEG4000 | 11 (%) | |
| 5 | 1 | reservoir | 0.1 (M) | ||
| 6 | 1 | reservoir | sodium acetate | 0.1 (M) | pH4.6 |
