4UXH
Leishmania major Thymidine Kinase in complex with AP5dT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-03-13 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 64.149, 64.149, 324.600 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 55.550 - 2.400 |
| R-factor | 0.19839 |
| Rwork | 0.195 |
| R-free | 0.25694 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.694 |
| 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] | 45.840 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.120 | 0.690 |
| Number of reflections | 16728 | |
| <I/σ(I)> | 11 | 2.7 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 8.2 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 0.1 M TRI-SODIUM CITRATE PH 5.5, 20 % (W/V) PEG 3000, 1 MM AP5DT, 1 MM DTHD, 1 MM APPNHP, 3 MM MGCL2 |
