6IRU
Crystal structure of Peptidase E from Deinococcus radiodurans in P6422 space group
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 | 2018-09-15 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 0.9778 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 166.745, 166.745, 100.903 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 16.026 - 2.700 |
R-factor | 0.2161 |
Rwork | 0.214 |
R-free | 0.25540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6a4t |
RMSD bond length | 0.006 |
RMSD bond angle | 0.870 |
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] | 48.140 | 2.830 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.107 | 1.147 |
Rmeas | 0.110 | 1.186 |
Rpim | 0.028 | 0.297 |
Number of reflections | 23227 | 3029 |
<I/σ(I)> | 23.5 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 14.5 | 14.9 |
CC(1/2) | 0.999 | 0.909 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 6.5 | 294 | 0.1 M Bis-tris pH 6.5, 25 % PEG3350 |