2QS8
Crystal structure of a Xaa-Pro dipeptidase with bound methionine in the active site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-07-12 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | I 4 |
| Unit cell lengths | 144.846, 144.846, 101.029 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.810 - 2.330 |
| R-factor | 0.207 |
| Rwork | 0.207 |
| R-free | 0.23400 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXD |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.410 |
| High resolution limit [Å] | 2.330 | 2.330 |
| Rmerge | 0.100 | 0.290 |
| Number of reflections | 44488 | |
| <I/σ(I)> | 13 | 3 |
| Completeness [%] | 99.8 | 98.4 |
| Redundancy | 19 | 12 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 298 | 30% MPD, 0.1M Hepes pH 7.0, 0.2M NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
