5DNX
Crystal structure of IGPD from Pyrococcus furiosus in complex with (R)-C348
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-04-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97950 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 140.430, 140.430, 136.720 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.980 - 1.800 |
| R-factor | 0.13239 |
| Rwork | 0.131 |
| R-free | 0.15761 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.505 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.980 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.118 | 1.006 |
| Number of reflections | 63077 | |
| <I/σ(I)> | 22.1 | 4.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 16.3 | 16.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 290 | 0.1M MES buffer pH 6 and 12% MPD |
