5CDL
Proline dipeptidase from Deinococcus radiodurans (selenomethionine derivative)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | RRCAT INDUS-2 BEAMLINE PX-BL21 |
| Synchrotron site | RRCAT INDUS-2 |
| Beamline | PX-BL21 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-09-13 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.978850 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 60.632, 60.632, 202.824 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.139 - 1.800 |
| R-factor | 0.1786 |
| Rwork | 0.177 |
| R-free | 0.20070 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.084 |
| Data scaling software | Aimless |
| Phasing software | RESOLVE |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.140 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.103 | 0.755 |
| Number of reflections | 35744 | |
| <I/σ(I)> | 16.4 | 1.9 |
| Completeness [%] | 98.6 | 85.5 |
| Redundancy | 6.7 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 5.5 | 294 | 0.1M HEPES pH 7.5, 0.8M NaH2PO4, 0.8M KH2PO4 |
