6JN1
Structure of H247A mutant peptidoglycan peptidase complex with penta peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-12-23 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0 |
Spacegroup name | P 61 |
Unit cell lengths | 114.256, 114.256, 55.880 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.564 - 2.382 |
R-factor | 0.1807 |
Rwork | 0.178 |
R-free | 0.22550 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.800 |
High resolution limit [Å] | 2.380 | 7.460 | 2.750 |
Rmerge | 0.173 | 0.086 | 0.821 |
Rmeas | 0.204 | 0.103 | 0.952 |
Rpim | 0.108 | 0.056 | 0.476 |
Number of reflections | 20960 | 1000 | 1069 |
<I/σ(I)> | 10.7 | ||
Completeness [%] | 98.4 | 92.9 | 99.9 |
Redundancy | 3.5 | 3.2 | 3.9 |
CC(1/2) | 0.977 | 0.640 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 296 | 1.8 M ammonium citrate tribasic at pH 7.0 |