3ACL
Crystal Structure of Human Pirin in complex with Triphenyl Compound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-05-19 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.343, 67.415, 107.785 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.860 - 2.350 |
| R-factor | 0.203 |
| Rwork | 0.203 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j1l |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.600 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.390 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.127 | 0.340 |
| Number of reflections | 13541 | |
| <I/σ(I)> | 16 | 3.803 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.8 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 293 | 34% PEG 3350, 0.1M PIPES, 0.1M MGCL2, 1.4mM INHIBITOR, PH 6.5, VAPOR DIFFUSION, TEMPERATURE 293K |
