4XG1
Psychromonas ingrahamii diaminopimelate decarboxylase with LLP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-06-28 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.954 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 89.960, 103.130, 93.590 |
Unit cell angles | 90.00, 94.77, 90.00 |
Refinement procedure
Resolution | 19.850 - 2.500 |
R-factor | 0.2119 |
Rwork | 0.211 |
R-free | 0.24589 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ID 3N2B |
RMSD bond length | 0.012 |
RMSD bond angle | 1.506 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SHELX (Auto-Rickshaw web server) |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 69.170 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.072 | 0.146 |
Number of reflections | 58922 | |
<I/σ(I)> | 20.3 | 11.6 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 7.3 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 281 | 28%(W/V) PEG 3350, 100mM BIS-TRIS PROPANE (PH 6.0), 200mM POTASSIUM THIOCYANATE, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 281K |