3IS4
Crystal structure of Leishmania mexicana pyruvate kinase (LmPYK)in complex with 1,3,6,8-pyrenetetrasulfonic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-11-18 |
Detector | MAR555 FLAT PANEL |
Wavelength(s) | 0.98 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 122.860, 129.860, 165.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.690 - 2.100 |
R-factor | 0.23214 |
Rwork | 0.231 |
R-free | 0.26321 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pkl |
RMSD bond length | 0.008 |
RMSD bond angle | 0.990 |
Data reduction software | DENZO |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.690 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.076 | 0.527 |
Number of reflections | 76957 | |
<I/σ(I)> | 20.1 | 4.2 |
Completeness [%] | 99.9 | 100 |
Redundancy | 9 | 8.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 277 | 12-16% Peg 8000, 20mM triethanolamine-HCl buffer (pH 7.2), 50mM MgCl2, 100mM KCl, 10% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 277K |