4EWE
Study on structure and function relationships in human Pirin with Manganese ion
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-28 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.80 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.163, 67.034, 107.156 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.690 - 1.560 |
| R-factor | 0.13676 |
| Rwork | 0.135 |
| R-free | 0.16742 |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.285 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.590 |
| High resolution limit [Å] | 1.560 | 1.560 |
| Rmerge | 0.077 | |
| Number of reflections | 43419 | |
| <I/σ(I)> | 25.3 | |
| Completeness [%] | 98.1 | 97.5 |
| Redundancy | 6.9 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289 | PEG 20000, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
