2PAJ
Crystal structure of an amidohydrolase from an environmental sample of Sargasso sea
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 | 2007-03-22 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97920 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 88.872, 88.872, 161.867 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.440 - 2.700 |
R-factor | 0.234 |
Rwork | 0.234 |
R-free | 0.28600 |
Structure solution method | SAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.600 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHARP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.070 | 0.300 |
Number of reflections | 19968 | |
<I/σ(I)> | 11.1 | 1 |
Completeness [%] | 94.4 | 63 |
Redundancy | 19 | 10.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.1M MES pH 6.5, 12% PEG 20000, VAPOR DIFFUSION, SITTING DROP, temperature 298K |