3GPK
Crystal Structure of PpiC-type peptidyl-prolyl cis-trans isomerase domain at 1.55A resolution.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-11 |
| Detector | ADSC QUANTUM Q315r |
| Wavelength(s) | 0.9790 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.020, 61.407, 41.074 |
| Unit cell angles | 90.00, 90.27, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.550 |
| R-factor | 0.201 |
| Rwork | 0.201 |
| R-free | 0.23200 |
| Structure solution method | SAD |
| RMSD bond length | 0.053 |
| RMSD bond angle | 2.300 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXCD |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.650 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.046 | 0.298 |
| Number of reflections | 28915 | |
| <I/σ(I)> | 17.3 | 17.6 |
| Completeness [%] | 96.9 | 74.9 |
| Redundancy | 6.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | pH 7.5 HEPES BUFFER AND 2M AMMONIUM SULPHATE, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
