4EL1
Crystal structure of oxidized hPDI (abb'xa')
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-02 |
| Detector | APEX II CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 160.748, 34.014, 156.959 |
| Unit cell angles | 90.00, 104.89, 90.00 |
Refinement procedure
| Resolution | 29.837 - 2.883 |
| R-factor | 0.2623 |
| Rwork | 0.261 |
| R-free | 0.28150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ekz |
| RMSD bond length | 0.015 |
| RMSD bond angle | 0.981 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.270 | 3.000 |
| High resolution limit [Å] | 2.883 | 3.120 | 2.900 |
| Number of reflections | 19053 | ||
| Completeness [%] | 99.4 | ||
| Redundancy | 3.9 | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 9.8 | 294 | 25% PEG 3350, 0.1M Bis-Tris, 0.2M ammonium acetate, pH 9.8, EVAPORATION, temperature 294K |
