4C45
Crystal structure of human pterin-4-alpha-carbinolamine dehydratase 2 (PCBD2)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-07-25 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 51.547, 94.044, 48.330 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.330 - 1.450 |
| R-factor | 0.14507 |
| Rwork | 0.144 |
| R-free | 0.16700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ru0 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.427 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.330 | 1.480 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.050 | 0.760 |
| Number of reflections | 21250 | |
| <I/σ(I)> | 18.1 | 2.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.5 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 2.4 SODIUM MALONATE |
