3HQN
Apo crystal structure of Leishmania mexicana(LmPYK)pyruvate kinase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-09-18 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.98 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 120.579, 167.333, 132.199 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.320 - 2.000 |
R-factor | 0.17064 |
Rwork | 0.169 |
R-free | 0.20906 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pkl |
RMSD bond length | 0.029 |
RMSD bond angle | 2.052 |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.130 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.099 | 0.588 |
Number of reflections | 89910 | |
<I/σ(I)> | 15.2 | 3 |
Completeness [%] | 99.8 | 100 |
Redundancy | 7.2 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 277 | 10-16% PEG8000, 20mM triethanolamine-HCl, 50mM MgCl2, 100mM KCl, 10-15% glycerol, pH7.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K |