8OF2
Trypanosoma brucei pteridine reductase 1 (TbPTR1) in complex with 2,4,6 triamminopyrimidine (TAP)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-02-26 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.770, 91.052, 83.027 |
| Unit cell angles | 90.00, 115.63, 90.00 |
Refinement procedure
| Resolution | 74.860 - 1.480 |
| R-factor | 0.16358 |
| Rwork | 0.162 |
| R-free | 0.19465 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.789 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.860 | 1.560 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmerge | 0.064 | 0.586 |
| Rmeas | 0.074 | 0.678 |
| Rpim | 0.036 | 0.337 |
| Number of reflections | 161484 | 24272 |
| <I/σ(I)> | 8.6 | 2.2 |
| Completeness [%] | 96.9 | 99.9 |
| Redundancy | 3.8 | 3.9 |
| CC(1/2) | 0.997 | 0.831 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 294 | 2-2.5 M sodium acetate, 0.1 M sodium citrate, pH5 |
