5EKW
A. thaliana IGPD2 in complex with the racemate of the triazole-phosphonate inhibitor, C348
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-06 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.95070 |
| Spacegroup name | P 4 3 2 |
| Unit cell lengths | 112.905, 112.905, 112.905 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.700 - 1.100 |
| R-factor | 0.12394 |
| Rwork | 0.123 |
| R-free | 0.13258 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4qnk |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.793 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.700 | 1.120 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.082 | 0.676 |
| Number of reflections | 98895 | |
| <I/σ(I)> | 15.1 | 2.2 |
| Completeness [%] | 99.5 | 98.3 |
| Redundancy | 10.6 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 290 | 0.1M Tris-HCl pH8.5 and 20% PEG 550 MME |
