4D0Y
Crystal structure of DacB from Streptococcus pneumoniae D39
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.950, 37.634, 102.837 |
Unit cell angles | 90.00, 97.98, 90.00 |
Refinement procedure
Resolution | 101.840 - 2.000 |
R-factor | 0.18409 |
Rwork | 0.181 |
R-free | 0.24263 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.021 |
RMSD bond angle | 1.888 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.920 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.180 | 0.800 |
Number of reflections | 26483 | |
<I/σ(I)> | 8.2 | 2.3 |
Completeness [%] | 99.7 | 99.2 |
Redundancy | 6.7 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 0.01 M ZINC CHLORIDE, 0.1 M TRIS-HCL PH 8.0, 14% (W/V) PEG 6000 |