5AIJ
P. aeruginosa SdsA hexagonal polymorph
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-09-23 |
Detector | ADSC CCD |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 86.370, 86.370, 368.180 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 74.800 - 1.950 |
R-factor | 0.18202 |
Rwork | 0.180 |
R-free | 0.21742 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2cg3 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.824 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.070 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.100 | 0.390 |
Number of reflections | 60034 | |
<I/σ(I)> | 15.5 | 3.95 |
Completeness [%] | 99.1 | 98.7 |
Redundancy | 5.1 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 10% PEG 4000, 10% ISOPROPANOL, 0.1 M LICL, 0.1 MM SODIUM CACODYLATE PH 6. |