5U99
Transition state analysis of adenosine triphosphate phosphoribosyltransferase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-03-25 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 134.758, 134.758, 111.005 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 80.430 - 2.400 |
| R-factor | 0.21749 |
| Rwork | 0.216 |
| R-free | 0.25051 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB:1NH7 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.519 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 80.430 |
| High resolution limit [Å] | 2.400 |
| Rmerge | 0.143 |
| Rpim | 0.492 |
| Number of reflections | 15289 |
| <I/σ(I)> | 20 |
| Completeness [%] | 100.0 |
| Redundancy | 20 |
| CC(1/2) | 0.773 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293.15 | 1.6 M magnesium sulphate and 0.1 M, 2-(N-morpholino)ethanesulfonic acid |
