6IFF
Crystal structure of M1 zinc metallopeptidase E323A 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 | 2018-07-27 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 0.979470 |
Spacegroup name | P 1 |
Unit cell lengths | 52.480, 57.658, 69.786 |
Unit cell angles | 89.66, 82.07, 67.54 |
Refinement procedure
Resolution | 22.265 - 1.830 |
R-factor | 0.1847 |
Rwork | 0.183 |
R-free | 0.21500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6a8z |
RMSD bond length | 0.005 |
RMSD bond angle | 0.756 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.360 | 1.870 |
High resolution limit [Å] | 1.830 | 1.830 |
Rmerge | 0.065 | 0.490 |
Rmeas | 0.084 | 0.645 |
Rpim | 0.053 | 0.415 |
Number of reflections | 64195 | 3730 |
<I/σ(I)> | 12.2 | 1.9 |
Completeness [%] | 97.3 | 89.9 |
Redundancy | 2.5 | 2 |
CC(1/2) | 0.994 | 0.657 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 5.5 | 294 | 0.2M ammonium formate, 0.1M Bis-tris, 20% PEG 3350 |