4EWA
Study on structure and function relationships in human Pirin with Fe ion
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-08-26 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.171, 66.696, 106.208 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.480 - 2.470 |
| R-factor | 0.24306 |
| Rwork | 0.240 |
| R-free | 0.29580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j1l |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.091 |
| 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 | 2.520 |
| High resolution limit [Å] | 2.480 | 2.480 |
| Rmerge | 0.131 | 0.524 |
| Number of reflections | 10058 | |
| <I/σ(I)> | 46.2 | 3.8 |
| Completeness [%] | 89.5 | 75 |
| Redundancy | 5.5 | 4.7 |
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 |
