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 |