1L6S
Crystal Structure of Porphobilinogen Synthase Complexed with the Inhibitor 4,7-Dioxosebacic Acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9B |
| Synchrotron site | NSLS |
| Beamline | X9B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-01-18 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.28 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 129.000, 129.000, 142.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.700 |
| R-factor | 0.195 * |
| Rwork | 0.195 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1i8j |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.800 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.051 * | 0.287 |
| Number of reflections | 126253 | |
| <I/σ(I)> | 2.3 | |
| Completeness [%] | 95.7 | 69.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 8.5 * | 296 | PEG 3350, 10% GLYCEROL, 0.1M TRIS-HCL, PH 8.5, 0.02% SODIUM AZIDE, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K |
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) | pH8.0 |
| 3 | 1 | drop | beta-mercaptoethanol | 10 (mM) | |
| 4 | 1 | drop | 0.020 (mM) | ||
| 5 | 1 | drop | 10 (mM) | ||
| 6 | 1 | reservoir | PEG3350 | 1-6 (%) | |
| 7 | 1 | reservoir | glycerol | 10 (%) | |
| 8 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH8.5 |
| 9 | 1 | reservoir | sodium azide | 0.02 (%) |
