7DIK
Structure of PfGrx1 with barium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-07-02 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 48.224, 48.224, 82.989 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.112 - 1.550 |
| R-factor | 0.1338 |
| Rwork | 0.132 |
| R-free | 0.17270 |
| Structure solution method | SAD |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXDE |
| Refinement software | PHENIX (1.15rc1_3423) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.043 | 0.337 |
| Number of reflections | 16793 | 800 |
| <I/σ(I)> | 896.1 | 42.1 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 7.7 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 12.5%(W/V) PEG1000, 12.5%(W/V) PEG3350, 12.5%(V/V) MPD, 0.02M AMINO ACIDS, 0.1M MOPS/HEPES SODIUM |
