4LSB
Crystal structure of a putative lyase/mutase from Burkholderia cenocepacia J2315
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-07-02 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9798 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.060, 70.030, 141.860 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.330 - 1.800 |
R-factor | 0.16895 |
Rwork | 0.167 |
R-free | 0.21081 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ze3 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.568 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.850 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.064 | 0.466 |
Number of reflections | 48518 | |
<I/σ(I)> | 18.6 | 3.3 |
Completeness [%] | 97.2 | 98.5 |
Redundancy | 5 | 4.97 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 20% PEG 8000, 0.2M MgCl2, Tris HCl pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |