4KW6
Crystal structure of Peroxiredoxin-1 (C-terminal truncation mutant) from the human hookworm Ancylostoma ceylanicum bound to conoidin A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-01-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.100 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 141.554, 141.657, 68.855 |
| Unit cell angles | 90.00, 98.50, 90.00 |
Refinement procedure
| Resolution | 49.840 - 3.000 |
| R-factor | 0.18661 |
| Rwork | 0.186 |
| R-free | 0.20002 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fh8 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.957 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.840 | 3.440 | 3.120 |
| High resolution limit [Å] | 3.000 | 3.270 | 3.000 |
| Rmerge | 0.079 | 0.223 | 0.323 |
| Number of reflections | 18994 | ||
| <I/σ(I)> | 3.36 | 1.84 | |
| Completeness [%] | 74.3 | 52.8 | 16.2 |
| Redundancy | 2 | 1.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 285 | 0.1 M MES, 1-2% PEG3350, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 285K |
