4DAO
Crystal structure of the hexameric purine nucleoside phosphorylase from Bacillus subtilis in complex with adenine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE W01B-MX2 |
Synchrotron site | LNLS |
Beamline | W01B-MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | P 3 2 1 |
Unit cell lengths | 136.458, 136.458, 55.484 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.220 |
R-factor | 0.1512 |
Rwork | 0.148 |
R-free | 0.20770 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.517 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 40.000 | 2.300 |
High resolution limit [Å] | 2.220 | 4.780 | 2.220 |
Rmerge | 0.044 | 0.026 | 0.285 |
Number of reflections | 29480 | ||
<I/σ(I)> | 18.5 | ||
Completeness [%] | 99.8 | 99.6 | 98.3 |
Redundancy | 5.6 | 5.5 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 4.6 | 291 | 0.1 M sodium acetate, 3.2 M sodium chloride, 5%(v/v) glycerol, pH 4.6, vapor diffusion, temperature 291K |