3PWZ
Crystal structure of an Ael1 enzyme from Pseudomonas putida
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-08-10 |
Detector | SBC-3 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 103.281, 49.246, 60.510 |
Unit cell angles | 90.00, 114.40, 90.00 |
Refinement procedure
Resolution | 30.147 - 1.705 |
R-factor | 0.2138 |
Rwork | 0.212 |
R-free | 0.24350 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.072 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.081 | 0.105 |
Number of reflections | 27408 | |
<I/σ(I)> | 18.3 | 2 |
Completeness [%] | 90.0 | 57 |
Redundancy | 4.7 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 298 | 0.1M NaHEPES, 2M (NH4)2SO4, and 1.5% PEG400, pH 7.5, temperature 298K |