3O4G
Structure and Catalysis of Acylaminoacyl Peptidase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X12 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-12-15 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9786 |
Spacegroup name | P 1 |
Unit cell lengths | 71.212, 97.016, 109.494 |
Unit cell angles | 89.01, 109.20, 100.21 |
Refinement procedure
Resolution | 19.640 - 2.500 |
R-factor | 0.21755 |
Rwork | 0.215 |
R-free | 0.26166 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Hydrolase and propeller domains of PDB entry 2HU5. |
RMSD bond length | 0.010 |
RMSD bond angle | 1.218 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.560 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.089 | 0.595 |
Number of reflections | 88675 | |
<I/σ(I)> | 12.55 | 2.01 |
Completeness [%] | 94.1 | 94.9 |
Redundancy | 1.99 | 1.99 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 78mM sodium acetate, 0.44mM EDTA, 6.7mM DITHIOTHREITOL, 2.4% PEG 4000 , pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |