3N25
The structure of muscle pyruvate kinase in complex with proline, pyruvate, and Mn2+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-07-18 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 |
Unit cell lengths | 82.373, 108.747, 144.256 |
Unit cell angles | 95.18, 93.38, 112.23 |
Refinement procedure
Resolution | 36.590 - 2.410 |
R-factor | 0.207 |
Rwork | 0.204 |
R-free | 0.26800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.125 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.490 |
High resolution limit [Å] | 2.400 | 5.170 | 2.400 |
Rmerge | 0.123 | 0.058 | 0.504 |
Number of reflections | 146924 | ||
<I/σ(I)> | 8.9 | ||
Completeness [%] | 83.6 | 96 | 78.8 |
Redundancy | 3.5 | 3.7 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | hanging drop vapor diffusion | 5.5 | 298 | 60 mM Succinate (pH 5.5), 5.8 mM sodium pyruvate, 2.4 mM MnCl2, 450 mM KCl, 444 mM Proline and a range of 18 to 20% PEG 8000., hanging drop vapor diffusion, temperature 298K |