1THQ
Crystal Structure of Outer Membrane Enzyme PagP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-02-04 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9505 |
| Spacegroup name | P 41 2 2 |
| Unit cell lengths | 50.670, 50.670, 158.480 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.290 - 1.900 |
| R-factor | 0.21842 |
| Rwork | 0.216 |
| R-free | 0.25546 |
| Structure solution method | MIRAS |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.436 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.337 | |
| Number of reflections | 17041 | |
| Completeness [%] | 99.5 | 99.9 |
| Redundancy | 13 | 11 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | MPD, sodium acetate, ammonium acetate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
