3D8N
Uroporphyrinogen III Synthase-Uroporphyringen III Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-10-27 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.743, 66.478, 55.459 |
| Unit cell angles | 90.00, 91.76, 90.00 |
Refinement procedure
| Resolution | 31.470 - 1.900 |
| R-factor | 0.208 |
| Rwork | 0.206 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.259 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
| Rmerge | 0.075 | 0.049 | 0.548 |
| Number of reflections | 19239 | ||
| <I/σ(I)> | 15.5 | ||
| Completeness [%] | 94.4 | 97.1 | 66.7 |
| Redundancy | 3.8 | 3.8 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | PEG 8000, MES, MgOAc, pH 6.5, vapor diffusion, sitting drop, temperature 277K |
