7DIP
Structure of PfGrx1 with manganese
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-07-10 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 48.060, 48.060, 83.226 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.030 - 1.731 |
| R-factor | 0.1462 |
| Rwork | 0.145 |
| R-free | 0.17900 |
| Structure solution method | SAD |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXCD |
| Refinement software | PHENIX (1.15rc1_3423) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.760 |
| High resolution limit [Å] | 1.730 | 4.690 | 1.730 |
| Rmerge | 0.058 | 0.026 | 0.528 |
| Total number of observations | 119388 | ||
| Number of reflections | 12117 | 680 | 563 |
| <I/σ(I)> | 11.3 | ||
| Completeness [%] | 99.8 | 99 | 97.1 |
| Redundancy | 9.9 | 9.3 | 8.1 |
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, 0.02 M amino acids, 0.1 M MOPS/HEPES sodium |
