5ZC7
Crystal structure of APRT from Y. pseudotuberculosis with bound adenine (P63 space group).
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-09-29 |
Detector | DECTRIS EIGER R 4M |
Wavelength(s) | 0.9677 |
Spacegroup name | P 63 |
Unit cell lengths | 121.074, 121.074, 50.035 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.000 |
R-factor | 0.1618 |
Rwork | 0.160 |
R-free | 0.19190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mb6 |
RMSD bond length | 0.027 |
RMSD bond angle | 2.413 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
Rmerge | 0.122 | 0.052 | 0.681 |
Rmeas | 0.128 | 0.054 | 0.734 |
Rpim | 0.039 | 0.016 | 0.264 |
Total number of observations | 299633 | ||
Number of reflections | 28327 | 1499 | 1332 |
<I/σ(I)> | 6.3 | ||
Completeness [%] | 99.5 | 99.7 | 96 |
Redundancy | 10.6 | 11.6 | 6.7 |
CC(1/2) | 0.998 | 0.750 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 30% PEG3350, 0.1M Tris-Hcl pH 8.5, 0.2M Sodium Acetate with 5mM adenine, 1mM Nickel Chloride and 5% ethylene glycol |