4UXI
Leishmania major Thymidine Kinase in complex with thymidine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-02-01 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 121.149, 121.149, 116.220 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 104.920 - 2.740 |
R-factor | 0.28353 |
Rwork | 0.282 |
R-free | 0.31039 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.292 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.460 | 2.880 |
High resolution limit [Å] | 2.740 | 2.740 |
Rmerge | 0.110 | 1.170 |
Number of reflections | 13223 | |
<I/σ(I)> | 17.3 | 2.9 |
Completeness [%] | 96.3 | 100 |
Redundancy | 20.5 | 20.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.4 | 1.4 M NA/K PO4 PH 5.4, 1 MM DTHD, 1 MM APPNHP, 3 MM MGCL2 |