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. |
