3UAZ
Crystal structure of Bacillus cereus adenosine phosphorylase D204N mutant complexed with inosine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 8-BM |
| Synchrotron site | APS |
| Beamline | 8-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 122.700, 122.700, 68.000 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.812 - 1.400 |
| R-factor | 0.141 |
| Rwork | 0.140 |
| R-free | 0.15470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ecp |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.316 |
| 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] | 20.000 | 20.000 | 1.450 |
| High resolution limit [Å] | 1.400 | 3.010 | 1.400 |
| Rmerge | 0.077 | 0.038 | 0.526 |
| Number of reflections | 59410 | ||
| <I/σ(I)> | 13.7 | ||
| Completeness [%] | 99.7 | 97.7 | 100 |
| Redundancy | 8.2 | 7.8 | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | 1.1 - 1.25 M sodium citrate, pH 5.5, vapor diffusion, hanging drop, temperature 291K |
