5TYH
PglD from Campylobacter jejuni NCTC 11168 in complex with 5-(2-furanyl)-1H-pyrazole-3-carboxylic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2009-04-08 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.080900 |
| Spacegroup name | P 63 |
| Unit cell lengths | 86.726, 86.726, 65.530 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 12.000 - 2.100 |
| R-factor | 0.19823 |
| Rwork | 0.196 |
| R-free | 0.24110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2npo |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.699 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.155 |
| High resolution limit [Å] | 2.100 | 2.102 |
| Rmerge | 0.061 | 0.654 |
| Number of reflections | 16473 | |
| <I/σ(I)> | 24.3 | 1.3 |
| Completeness [%] | 97.9 | 83.11 |
| Redundancy | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 295 | pH 4.5, 0.1 mM sodium acetate, 1.9 M ammonium sulphate, 22 C |
