6JN7
Structure of H216A mutant closed form peptidoglycan peptidase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-04-03 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 82.304, 105.632, 86.161 |
Unit cell angles | 90.00, 107.22, 90.00 |
Refinement procedure
Resolution | 32.696 - 2.040 |
R-factor | 0.1685 |
Rwork | 0.167 |
R-free | 0.19410 |
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 | 2.080 |
High resolution limit [Å] | 2.033 | 5.540 | 2.040 |
Rmerge | 0.104 | 0.059 | 0.690 |
Rmeas | 0.113 | 0.065 | 0.746 |
Rpim | 0.044 | 0.027 | 0.282 |
Number of reflections | 89706 | 4474 | 4409 |
<I/σ(I)> | 14.2 | ||
Completeness [%] | 99.8 | 97.1 | 99.1 |
Redundancy | 6.9 | 6 | 6.9 |
CC(1/2) | 0.995 | 0.861 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 296 | 1.1M malonic acid, 150mM ammonium citrate tribasic, 72mM succinic acid, 180mM DL-malic acid, 240mM sodium acetate, 300mM sodium formate, 96mM ammonium tartrate dibasic at pH 7.0 |