3T8L
Crystal Structure of adenine deaminase with Mn/Fe
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 | 2010-11-10 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.543, 131.171, 69.284 |
Unit cell angles | 90.00, 97.04, 90.00 |
Refinement procedure
Resolution | 48.730 - 2.800 |
R-factor | 0.18058 |
Rwork | 0.174 |
R-free | 0.30067 |
Structure solution method | Difference Fourier |
Starting model (for MR) | 3nqb |
RMSD bond length | 0.048 |
RMSD bond angle | 3.398 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.850 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.175 | |
Number of reflections | 26874 | |
Completeness [%] | 99.7 | 97 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.2M Magnesium chloride hexahydrate, 0.1M HEPES 7.5, 25% (w/v) PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 298K |