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 |
