4KCU
Pyruvate kinase (PYK) from Trypanosoma brucei soaked with D-Malate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 103.370, 108.270, 265.190 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 67.180 - 2.350 |
R-factor | 0.16219 |
Rwork | 0.160 |
R-free | 0.20576 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.141 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 74.770 | 2.480 |
High resolution limit [Å] | 2.350 | 2.350 |
Number of reflections | 62179 | |
Completeness [%] | 99.9 | 99.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 277 | 15-20% PEG 8,000, 10-20% glycerol, 80 uM F26BP, 800 uM Ponceau S, 50 mM TEA, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K |