3GP6
Crystal structure of PagP in SDS/MPD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-01-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 113.228, 113.228, 55.064 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.400 |
| R-factor | 0.17259 |
| Rwork | 0.171 |
| R-free | 0.20817 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1thq |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.119 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Number of reflections | 40433 | |
| <I/σ(I)> | 1.36 | |
| Completeness [%] | 97.7 | 80.4 |
| Redundancy | 8.2 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 291 | 1M MPD, 0.1M citrate pH 5.6, 1.7M lithium sulphate, 0.3M ammonium sulphate, SDS, Phase separation, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
