4DAR
Crystal structure of the hexameric purine nucleoside phosphorylase from Bacillus subtilis in complex with tubercidin
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 63 2 2 |
Unit cell lengths | 135.638, 135.638, 57.560 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 3.150 |
R-factor | 0.2193 |
Rwork | 0.217 |
R-free | 0.27140 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.153 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.15) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 117.466 | 39.155 | 3.320 |
High resolution limit [Å] | 3.150 | 9.960 | 3.150 |
Rmerge | 0.071 | 0.340 | |
Total number of observations | 906 | 4392 | |
Number of reflections | 5743 | ||
<I/σ(I)> | 10.5 | 8.1 | 2 |
Completeness [%] | 99.8 | 96.6 | 100 |
Redundancy | 5.3 | 4.3 | 5.4 |
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 |