5B6H
Crystal structure of an APRT from Yersinia pseudotuberculosis in complex with AMP.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-09-03 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.072 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 60.875, 78.554, 53.885 |
Unit cell angles | 90.00, 116.56, 90.00 |
Refinement procedure
Resolution | 48.200 - 1.900 |
R-factor | 0.1881 |
Rwork | 0.187 |
R-free | 0.21210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mb6 |
RMSD bond length | 0.023 |
RMSD bond angle | 2.306 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.200 | 40.000 | 1.930 |
High resolution limit [Å] | 1.900 | 5.150 | 1.900 |
Rmerge | 0.061 | 0.043 | 0.812 |
Number of reflections | 17719 | ||
<I/σ(I)> | 12.8 | 3.21 | |
Completeness [%] | 99.3 | 90.9 | 99.8 |
Redundancy | 5.9 | 4.9 | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 2.4M sodium malonate pH 7.0 these crystals were moved condition containing 25% PEG3350, 0.1M Tris-Hcl pH 8.5, 0.2M Sodium Acetate and soaked with 5mM AMP |