3V4S
Crystal Structure of ADP-ATP complex of purK: N5-carboxyaminoimidazole ribonucleotide synthetase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.744, 82.870, 167.928 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.960 - 2.020 |
R-factor | 0.174 |
Rwork | 0.172 |
R-free | 0.21500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.264 |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 19.960 |
High resolution limit [Å] | 2.020 |
Number of reflections | 51477 |
Completeness [%] | 96.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 298 | 0.1M MES, 5mM DTT, 11% glycerol, 10% PEG6000, 10mM MgCl2, 17 mM NaHCO3, 17 mM ATP, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |