7DIQ
Structure of PfGrx1 with zinc
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-07-15 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 48.466, 48.466, 82.417 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.233 - 1.870 |
R-factor | 0.1549 |
Rwork | 0.152 |
R-free | 0.20110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hjm |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.15rc1_3423) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.900 |
High resolution limit [Å] | 1.870 | 5.070 | 1.870 |
Rmerge | 0.073 | 0.037 | 0.441 |
Total number of observations | 100487 | ||
Number of reflections | 9645 | 556 | 452 |
<I/σ(I)> | 11.7 | ||
Completeness [%] | 99.0 | 98.8 | 98 |
Redundancy | 10.4 | 9.4 | 10.2 |
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 |