1HW6
CRYSTAL STRUCTURE OF APO-2,5-DIKETO-D-GLUCONATE REDUCTASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 103 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-01-01 |
| Detector | RIGAKU RAXIS II |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.030, 53.940, 89.750 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.000 - 1.900 |
| R-factor | 0.2 * |
| R-free | 0.26800 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a80 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.330 |
| Data reduction software | DENZO |
| Phasing software | MRCHK |
| Refinement software | TNT (5E) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.000 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.052 | 0.343 |
| Total number of observations | 126729 * | |
| Number of reflections | 19905 * | |
| <I/σ(I)> | 15.6 | 3.2 |
| Completeness [%] | 94.5 | 82.8 |
| Redundancy | 6.4 | 2.24 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 298 | 30% PEG 4000, 0.2M MgCl2, 0.1M Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 13 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 25 (mM) | |
| 3 | 1 | reservoir | PEG4000 | 30 (%(w/v)) | |
| 4 | 1 | reservoir | 0.2 (M) | ||
| 5 | 1 | reservoir | Tris | 0.1 (M) |
