5Y4A
Cadmium directed assembly of adenine phosphoribosyltransferase from Yersinia pseudotuberculosis.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-12-08 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.953 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.216, 77.547, 90.388 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.340 |
R-factor | 0.2004 |
Rwork | 0.198 |
R-free | 0.25490 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.021 |
RMSD bond angle | 2.153 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.390 |
High resolution limit [Å] | 2.350 | 6.370 | 2.350 |
Rmerge | 0.075 | 0.053 | 0.634 |
Rmeas | 0.080 | 0.057 | 0.677 |
Rpim | 0.029 | 0.022 | 0.235 |
Total number of observations | 143782 | ||
Number of reflections | 18401 | 1020 | 902 |
<I/σ(I)> | 9.7 | ||
Completeness [%] | 99.8 | 98.7 | 100 |
Redundancy | 7.8 | 6.8 | 8.2 |
CC(1/2) | 0.996 | 0.901 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 20%(v/v) 1,4-Butanediol, 0.1M MES:NaOH pH 6.0, 0.2M Lithium sulfate with 5mM cadmium chloride and calcium chloride |