7R6Y
E117K mutant pyruvate kinase from rabbit muscle
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-06-23 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 108.340, 121.830, 161.370 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.970 - 2.250 |
R-factor | 0.2033 |
Rwork | 0.201 |
R-free | 0.24960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1aqf |
RMSD bond length | 0.006 |
RMSD bond angle | 0.898 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.180 | 2.370 |
High resolution limit [Å] | 2.250 | 2.250 |
Number of reflections | 101836 | 14698 |
<I/σ(I)> | 17.5 | |
Completeness [%] | 99.9 | |
Redundancy | 7.2 | |
CC(1/2) | 0.990 | 0.810 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 291.15 | 0.2 M magnesium acetate, 0.1 M sodium cacodylate pH 6.5, and 18% w/v Polyethylene Glycol 8000 |