1I8J
CRYSTAL STRUCTURE OF PORPHOBILINOGEN SYNTHASE COMPLEXED WITH THE INHIBITOR 4,7-DIOXOSEBACIC ACID
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-11-10 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 128.741, 128.741, 142.760 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.000 - 1.900 |
| R-factor | 0.198 * |
| Rwork | 0.198 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1b4e |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.910 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.069 | 0.500 |
| Number of reflections | 94536 | |
| <I/σ(I)> | 12 | |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 5.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 * | 294 | PEG 3350, GLYCEROL, TRIS-HCL, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 9 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 50 (mM) | |
| 3 | 1 | drop | beta-mercaptoethanol | 10 (mM) | |
| 4 | 1 | drop | 0.020 (mM) | ||
| 5 | 1 | drop | 10 (mM) | ||
| 6 | 1 | reservoir | PEG3350 | 2.5 (%) | |
| 7 | 1 | reservoir | glycerol | 10 (%) | |
| 8 | 1 | reservoir | Tris-HCl | 0.1 (M) | |
| 9 | 1 | reservoir | sodium azide | 0.02 (%) |
