4EG0
Crystal Structure of D-alanine--D-alanine ligase from Burkholderia ambifaria
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-03-03 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97740 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.380, 118.110, 56.930 |
Unit cell angles | 90.00, 91.56, 90.00 |
Refinement procedure
Resolution | 40.978 - 1.650 |
R-factor | 0.1747 |
Rwork | 0.173 |
R-free | 0.20010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1iov |
RMSD bond length | 0.018 |
RMSD bond angle | 1.740 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.690 | |
High resolution limit [Å] | 1.650 | 7.380 | 1.650 |
Rmerge | 0.035 | 0.018 | 0.478 |
Number of reflections | 76670 | 705 | 5542 |
<I/σ(I)> | 17.57 | 50.71 | 2.29 |
Completeness [%] | 94.9 | 79.6 | 97.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 290 | Morpheus condition A12: 0.06 M magnesium chloride, 0.06 M calcium chloride, 0.1 M TRIS-Bicine, 37.5% MPD/PEG1000/PEG3350, 20.26 mg/ml BuamA.00119.a.A1 PS01236, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 290K |