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 |