6A4R
Crystal structure of aspartate bound peptidase E from Salmonella enterica
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 | 2018-06-05 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 0.97949 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 67.155, 42.889, 89.290 |
Unit cell angles | 90.00, 107.02, 90.00 |
Refinement procedure
Resolution | 41.605 - 1.828 |
R-factor | 0.1902 |
Rwork | 0.189 |
R-free | 0.21260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fy2 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.643 |
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] | 45.340 | 1.870 |
High resolution limit [Å] | 1.827 | 1.830 |
Rmerge | 0.057 | 0.470 |
Rmeas | 0.070 | 0.601 |
Rpim | 0.041 | 0.369 |
Number of reflections | 41754 | 2142 |
<I/σ(I)> | 13.4 | 1.9 |
Completeness [%] | 96.2 | 79.5 |
Redundancy | 2.9 | 2.3 |
CC(1/2) | 0.997 | 0.740 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 5.5 | 294 | 0.1 M Bis-tris pH 5.5, 0.2 M Sodium chloride, 31 % Peg 3350 |