3R5A
Pseudomonas aeruginosa DapD (PA3666) in complex with D-2-aminopimelate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-2 |
Synchrotron site | MAX II |
Beamline | I911-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-10-08 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.04 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 83.343, 101.931, 135.686 |
Unit cell angles | 90.00, 89.97, 90.00 |
Refinement procedure
Resolution | 21.830 - 1.890 |
R-factor | 0.19755 |
Rwork | 0.196 |
R-free | 0.23532 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.008 |
RMSD bond angle | 1.145 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.000 | 1.980 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmerge | 0.059 | 0.333 |
Number of reflections | 173938 | |
<I/σ(I)> | 9.8 | 2.3 |
Completeness [%] | 91.2 | 72.8 |
Redundancy | 2.5 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 293 | 19-20% of PEG3350, 0.3-0.4M succinate, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |