7DIR
Structure of PfGrx1 with mercury
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-07-16 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 48.160, 48.160, 82.463 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.080 - 1.650 |
R-factor | 0.1549 |
Rwork | 0.153 |
R-free | 0.18460 |
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 | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.680 |
High resolution limit [Å] | 1.650 | 4.480 | 1.650 |
Rmerge | 0.059 | 0.045 | 0.682 |
Total number of observations | 107891 | ||
Number of reflections | 13850 | 772 | 661 |
<I/σ(I)> | 12.6 | ||
Completeness [%] | 99.9 | 97.7 | 100 |
Redundancy | 7.8 | 7.3 | 7.5 |
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 |