4FXF
Structure of M2 pyruvate kinase in complex with phenylalanine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 81.600, 139.350, 111.280 |
Unit cell angles | 90.00, 90.52, 90.00 |
Refinement procedure
Resolution | 51.670 - 2.550 |
R-factor | 0.21453 |
Rwork | 0.212 |
R-free | 0.25376 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bjt |
RMSD bond length | 0.006 |
RMSD bond angle | 0.878 |
Data scaling software | SCALA |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 66.090 | 2.620 |
High resolution limit [Å] | 2.550 | 2.550 |
Rmerge | 0.085 | 0.633 |
Number of reflections | 79477 | |
<I/σ(I)> | 15.6 | 2.6 |
Completeness [%] | 98.2 | 93.6 |
Redundancy | 6.9 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 290 | 10-16% PEG 8000, 100 mM sodium Cacodylate, 50 mM MgCl2, 100 mM KCl, VAPOR DIFFUSION, HANGING DROP, temperature 290K, pH 7 |