1HQ6
STRUCTURE OF PYRUVOYL-DEPENDENT HISTIDINE DECARBOXYLASE AT PH 8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 103 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-10-13 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 117.431, 117.431, 241.600 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.700 |
| R-factor | 0.263 |
| Rwork | 0.253 |
| R-free | 0.31400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pya |
| RMSD bond length | 0.012 |
| RMSD bond angle | 3.027 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.053 | 0.211 |
| Number of reflections | 17625 | |
| <I/σ(I)> | 13.3 | |
| Completeness [%] | 98.4 | 98.8 |
| Redundancy | 4.2 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | PEG 400, PEG 4000, TRIS-HCL, SODIUM ACETATE, N-DODECYL-BETA-N-MALTOSIDE, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | histidine decarboxylase | 12.5 (mg/ml) | |
| 2 | 1 | drop | n-dodecyl-beta-D-maltoside | ||
| 3 | 1 | reservoir | PEG400 | 25 (%(w/v)) | |
| 4 | 1 | reservoir | PEG4000 | 8 (%) | |
| 5 | 1 | reservoir | Tris-HCl | 0.1 (M) | |
| 6 | 1 | reservoir | sodium acetate | 0.1 (M) |
