4PXD
The crystal structure of EcAAH in complex with allantoate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Detector technology | CCD |
Collection date | 2013-07-18 |
Detector | ADSC QUANTUM 270r |
Wavelength(s) | 0.97934 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 106.829, 171.864, 43.244 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.301 - 2.200 |
R-factor | 0.1705 |
Rwork | 0.168 |
R-free | 0.21800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1z2l |
RMSD bond length | 0.007 |
RMSD bond angle | 1.114 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.280 |
High resolution limit [Å] | 2.200 | 4.740 | 2.200 |
Rmerge | 0.149 | 0.075 | 0.741 |
Number of reflections | 41528 | ||
<I/σ(I)> | 4.6 | ||
Completeness [%] | 99.9 | 99.5 | 100 |
Redundancy | 14.4 | 13.3 | 14.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |