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 |