5C1P
Crystal structure of ADP and D-alanyl-D-alanine complexed D-alanine-D-alanine ligase(DDL) from Yersinia pestis
Experimental procedure
Experimental method | MAD |
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 | 2013-07-28 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.997 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.670, 106.545, 211.103 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.020 - 2.400 |
R-factor | 0.19874 |
Rwork | 0.197 |
R-free | 0.23376 |
Structure solution method | MAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.617 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.400 |
Rmerge | 0.090 |
Number of reflections | 56216 |
<I/σ(I)> | 32.4 |
Completeness [%] | 100.0 |
Redundancy | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 287 | 0.2M Sodium acetate, 0.1M ris pH7.0, 29% PEG 8000 |