3OTX
Crystal Structure of Trypanosoma brucei rhodesiense Adenosine Kinase Complexed with Inhibitor AP5A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-24 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.893, 70.549, 72.410 |
| Unit cell angles | 90.00, 90.77, 90.00 |
Refinement procedure
| Resolution | 72.360 - 1.550 |
| R-factor | 0.1826 |
| Rwork | 0.181 |
| R-free | 0.21417 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bx4 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.485 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.000 | 1.600 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Number of reflections | 97047 | |
| <I/σ(I)> | 14.6 | 3.5 |
| Completeness [%] | 96.5 | 95.1 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 0.1M sodium citrate, 20% iso-propanol, 20% PEG 4000, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
