4GUL
Study on structure and function relationships in human ferric Pirin
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 | 2012-07-22 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.80 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.305, 67.031, 107.058 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.870 - 1.800 |
| R-factor | 0.1896 |
| Rwork | 0.187 |
| R-free | 0.23370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j1l |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.265 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.880 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.149 | |
| Number of reflections | 25931 | |
| <I/σ(I)> | 32.93 | |
| Completeness [%] | 94.3 | 67.6 |
| Redundancy | 9.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289 | PEG 20000, 0.1 MES , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
