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 |