5TVF
Crystal structure of Trypanosoma brucei AdoMetDC/prozyme heterodimer in complex with inhibitor CGP 40215
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-12-10 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.126, 96.306, 98.483 |
| Unit cell angles | 90.00, 102.22, 90.00 |
Refinement procedure
| Resolution | 32.376 - 2.420 |
| R-factor | 0.2181 |
| Rwork | 0.217 |
| R-free | 0.25510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5tvm |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.476 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.460 |
| High resolution limit [Å] | 2.420 | 2.420 |
| Number of reflections | 57137 | |
| <I/σ(I)> | 16.6 | 1.7 |
| Completeness [%] | 99.4 | 98.5 |
| Redundancy | 4 | 3.4 |
| CC(1/2) | 0.530 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 293 | 17 % PEG 3350, 0.1 M BTP, pH 6.9, 0.3 M NaCl |
