6IKG
Crystal structure of substrate-bound S9 peptidase (S514A mutant) from Deinococcus radiodurans
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 | IMAGE PLATE |
Collection date | 2018-02-03 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 0.97949 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 71.649, 214.636, 92.022 |
Unit cell angles | 90.00, 102.98, 90.00 |
Refinement procedure
Resolution | 46.978 - 2.300 |
R-factor | 0.2088 |
Rwork | 0.207 |
R-free | 0.23410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5yzo |
RMSD bond length | 0.003 |
RMSD bond angle | 0.645 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.980 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.126 | 0.969 |
Rmeas | 0.142 | 1.094 |
Rpim | 0.065 | 0.504 |
Number of reflections | 119554 | 5872 |
<I/σ(I)> | 11.4 | 2 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 4.6 | 4.6 |
CC(1/2) | 0.990 | 0.655 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 5.4 | 294 | 40mM potassium phosphate 30 PEG8000, 20% glycerol |