4C5C
The X-ray crystal structure of D-alanyl-D-alanine ligase in complex with ADP and D-ala-D-ala
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.230, 97.800, 110.120 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.900 - 1.400 |
R-factor | 0.18071 |
Rwork | 0.180 |
R-free | 0.20341 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1iow |
RMSD bond length | 0.015 |
RMSD bond angle | 1.662 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.000 | 1.450 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.070 | 0.580 |
Number of reflections | 106127 | |
<I/σ(I)> | 22.4 | 2.1 |
Completeness [%] | 97.1 | 94.6 |
Redundancy | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |