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 |
