7DIW
Structure of PfGrx1 in the intermediate state 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 | 2013-07-17 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 48.169, 48.169, 83.134 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.084 - 1.671 |
R-factor | 0.153 |
Rwork | 0.151 |
R-free | 0.19330 |
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 | 1.700 |
High resolution limit [Å] | 1.670 | 4.530 | 1.670 |
Rmerge | 0.059 | 0.039 | 0.390 |
Total number of observations | 147592 | ||
Number of reflections | 13437 | 756 | 631 |
<I/σ(I)> | 12 | ||
Completeness [%] | 99.6 | 99.1 | 98.4 |
Redundancy | 11 | 10.2 | 10.1 |
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 |