5YZM
Crystal structure of S9 peptidase (inactive form) from Deinococcus radiodurans R1
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 | 2015-04-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97947 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.702, 195.092, 107.715 |
| Unit cell angles | 90.00, 99.97, 90.00 |
Refinement procedure
| Resolution | 46.867 - 2.300 |
| R-factor | 0.1909 |
| Rwork | 0.189 |
| R-free | 0.21930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hxe |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.578 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.770 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.074 | 0.636 |
| Rmeas | 0.084 | 0.742 |
| Rpim | 0.044 | 0.380 |
| Number of reflections | 132199 | 6511 |
| <I/σ(I)> | 16.6 | 2.2 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 3.8 | 3.8 |
| CC(1/2) | 0.998 | 0.719 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 5.47 | 294 | 50mM sodium acetate, pH 4.5, 200mM sodium chloride, 10mM magnesium chloride, 12% PEG 3350 |
