3DZL
Crystal structure of PhzA/B from Burkholderia cepacia R18194 in complex with (R)-3-oxocyclohexanecarboxylic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-20 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 64.740, 64.740, 161.030 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.390 - 1.750 |
R-factor | 0.15953 |
Rwork | 0.158 |
R-free | 0.19310 |
Structure solution method | SAD |
RMSD bond length | 0.028 |
RMSD bond angle | 2.136 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELXD |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.850 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.051 | 0.327 |
Number of reflections | 40290 | |
<I/σ(I)> | 24.1 | 4.9 |
Completeness [%] | 99.9 | 100 |
Redundancy | 8.5 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 284 | 16-20% (w/v) PEG 3350, 0.2 M NH4OAc, 0.1 M Bis-Tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 284K |