6KP1
Crystal structure of two domain M1 zinc metallopeptidase E323A mutant bound to L-methionine amino acid
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 | 2018-09-18 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 0.9778 |
Spacegroup name | P 1 |
Unit cell lengths | 51.806, 57.496, 69.444 |
Unit cell angles | 89.92, 82.48, 67.83 |
Refinement procedure
Resolution | 21.450 - 2.190 |
R-factor | 0.2204 |
Rwork | 0.218 |
R-free | 0.27020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6a8z |
RMSD bond length | 0.003 |
RMSD bond angle | 0.616 |
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] | 47.500 | 2.260 |
High resolution limit [Å] | 2.190 | 2.190 |
Number of reflections | 36707 | 2953 |
<I/σ(I)> | 9.6 | 3.2 |
Completeness [%] | 97.3 | |
Redundancy | 3.3 | |
CC(1/2) | 0.997 | 0.956 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 294 | Bis-tris, ammonium formate, PEG3350 |