2ICS
Crystal structure of an adenine deaminase
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 | 2006-09-01 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 62.373, 141.686, 47.396 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.820 - 2.300 |
R-factor | 0.198 |
Rwork | 0.198 |
R-free | 0.23900 |
Structure solution method | SAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXD |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.250 |
High resolution limit [Å] | 2.170 | 2.170 |
Rmerge | 0.110 | 0.300 |
Number of reflections | 23326 | |
<I/σ(I)> | 14 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.7 | 7.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 1.8 M sodium Malonate, 10% Jeffamine, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |