6H8N
Structure of peptidoglycan deacetylase PdaC from Bacillus subtilis - mutant D285S
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-04-28 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9796 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.420, 61.800, 130.990 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.116 - 1.260 |
R-factor | 0.1607 |
Rwork | 0.160 |
R-free | 0.17450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6h8l |
RMSD bond length | 0.007 |
RMSD bond angle | 0.977 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX ((dev_2219: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.110 | 1.300 |
High resolution limit [Å] | 1.260 | 1.260 |
Rmerge | 0.068 | 0.483 |
Rmeas | 0.074 | 0.595 |
Number of reflections | 120462 | 10846 |
<I/σ(I)> | 11.01 | 1.74 |
Completeness [%] | 99.0 | 89 |
Redundancy | 5.7 | 2.8 |
CC(1/2) | 0.999 | 0.707 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.4 M Ammonium phosphate monobasic |