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 |