1S2I
Purine 2'deoxyribosyltransferase + bromopurine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 8-BM |
Synchrotron site | APS |
Beamline | 8-BM |
Detector technology | CCD |
Collection date | 2002-09-18 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9791 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 79.587, 79.587, 184.973 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.740 - 2.240 |
R-factor | 0.238 |
Rwork | 0.238 |
R-free | 0.26600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.350 |
High resolution limit [Å] | 2.240 | 2.250 |
Rmerge | 0.055 | 0.281 |
Number of reflections | 28950 | |
<I/σ(I)> | 20 | 10 |
Completeness [%] | 98.9 | 98.9 |
Redundancy | 7.9 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | 2.0 M amonium sulfate, 100 mM Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |