3PBM
The crystal structure of adenosine deaminase in complex with chloropurine from Pseudomonas aeruginosa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-17 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.685, 74.103, 178.215 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.350 - 2.591 |
| R-factor | 0.1757 |
| Rwork | 0.173 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ou8 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.269 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.690 |
| High resolution limit [Å] | 2.591 | 2.600 |
| Rmerge | 0.176 | 0.473 |
| Number of reflections | 19042 | |
| <I/σ(I)> | 9.3 | 3.3 |
| Completeness [%] | 99.4 | 96.1 |
| Redundancy | 6.6 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.2 M Magnesium chloride, 0.1 M HEPES pH 7.5, 25% w/v PEG 3350, , VAPOR DIFFUSION, SITTING DROP, temperature 277K |
