5ZMI
Crystal structure of APRT from Y. pseudotuberculosis in complex with adenine.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-09-29 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9677 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 58.958, 78.650, 53.679 |
Unit cell angles | 90.00, 115.20, 90.00 |
Refinement procedure
Resolution | 48.570 - 2.050 |
R-factor | 0.1876 |
Rwork | 0.185 |
R-free | 0.22830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mb6 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.589 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.6.2) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.570 | 2.110 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.050 | 0.490 |
Rmeas | 0.061 | 0.620 |
Rpim | 0.034 | 0.375 |
Number of reflections | 13665 | 1026 |
<I/σ(I)> | 9.9 | |
Completeness [%] | 98.1 | 94.8 |
Redundancy | 2.9 | 2.4 |
CC(1/2) | 0.996 | 0.731 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 30% PEG4000, 0.1M Tris-Hcl pH 8.5, 0.2M Sodium Acetate with 5mM adenine and 5% ethylene glycol |