5ZOC
Crystal structure of APRT from Y. pseudotuberculosis with bound adenine (C2 space group).
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2017-09-01 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5417 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 58.714, 77.873, 54.074 |
Unit cell angles | 90.00, 112.61, 90.00 |
Refinement procedure
Resolution | 49.920 - 1.980 |
R-factor | 0.1999 |
Rwork | 0.198 |
R-free | 0.23030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mb6 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.179 |
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 | 2.010 |
High resolution limit [Å] | 1.980 | 5.371 | 1.980 |
Rmerge | 0.034 | 0.030 | 0.149 |
Rmeas | 0.039 | 0.034 | 0.173 |
Rpim | 0.017 | 0.015 | 0.085 |
Number of reflections | 15046 | 795 | 512 |
<I/σ(I)> | 42.5 | ||
Completeness [%] | 95.9 | 98.4 | 63.9 |
Redundancy | 5 | 4.7 | 3.4 |
CC(1/2) | 0.997 | 0.992 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 25% PEG3350, 0.1M Tris-Hcl pH 8.5, 0.2M Sodium Acetate with 5mM adenine and 5% ethylene glycol |