3UAV
Crystal structure of adenosine phosphorylase from Bacillus cereus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-05-01 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97580 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 122.000, 122.000, 68.000 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.934 - 1.400 |
R-factor | 0.1496 |
Rwork | 0.149 |
R-free | 0.16430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ecp |
RMSD bond length | 0.009 |
RMSD bond angle | 1.282 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.450 |
High resolution limit [Å] | 1.400 | 3.020 | 1.400 |
Rmerge | 0.053 | 0.035 | 0.470 |
Number of reflections | 58855 | ||
<I/σ(I)> | 13.3 | ||
Completeness [%] | 99.8 | 97.9 | 100 |
Redundancy | 5.1 | 4.9 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | 1.3-1.5 M ammonium sulfate, pH 5.5, vapor diffusion, hanging drop, temperature 291K |