3D6L
Crystal structure of Cj0915, a hexameric hotdog fold thioesterase of Campylobacter jejuni
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-12-07 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97915 |
Spacegroup name | P 41 3 2 |
Unit cell lengths | 103.018, 103.018, 103.018 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.280 - 2.590 |
R-factor | 0.20893 |
Rwork | 0.207 |
R-free | 0.25971 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yli |
RMSD bond length | 0.010 |
RMSD bond angle | 1.263 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.690 |
High resolution limit [Å] | 2.590 | 2.590 |
Rmerge | 0.104 | 0.339 |
Number of reflections | 6240 | |
<I/σ(I)> | 5.6 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 19.1 | 13.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 288 | 0.75M NaCl, 0.1M Sodium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 288K |