4BQH
Crystal structure of the uridine diphosphate N-acetylglucosamine pyrophosphorylase from Trypanosoma brucei in complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 287 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 59.930, 103.000, 187.140 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.750 |
| R-factor | 0.18986 |
| Rwork | 0.189 |
| R-free | 0.22101 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jv1 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.306 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 25.000 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.070 | 0.350 |
| Number of reflections | 58590 | |
| <I/σ(I)> | 13.6 | 4.5 |
| Completeness [%] | 99.7 | 99.2 |
| Redundancy | 5.7 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 25% PEG3350, 0.2M (NH4)2SO4, 0.1 M BIS-TRIS PH5.5 |
