2ORV
human Thymidine Kinase 1 in complex with TP4A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-03-17 |
| Detector | MAR CCD 225 mm |
| Wavelength(s) | 1.072 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 80.980, 80.980, 156.360 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.500 - 2.300 |
| R-factor | 0.202 |
| Rwork | 0.197 |
| R-free | 0.24900 |
| Structure solution method | SAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.811 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.500 | 2.210 |
| High resolution limit [Å] | 2.080 | 2.080 |
| Rmerge | 0.075 | |
| Number of reflections | 34789 | |
| <I/σ(I)> | 10.54 | 2.3 |
| Completeness [%] | 95.4 | 79 |
| Redundancy | 5 | 3.18 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 298 | 2.8 M NaCl, 0.1M MES, 0.1M NaH2PO4, 0.1M KH2PO4, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
