2PEF
Crystal Structure of a Thermophilic Serpin, Tengpin, in the Latent State
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-09-24 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.762, 44.907, 159.233 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 79.000 - 1.600 |
| R-factor | 0.208 |
| Rwork | 0.206 |
| R-free | 0.25300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sng THERMOPIN |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.999 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.076 | 0.351 |
| Number of reflections | 42797 | |
| <I/σ(I)> | 20.1 | 1.6 |
| Completeness [%] | 98.4 | 98.1 |
| Redundancy | 5.4 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 294 | 28% PEG 400, 0.1 M Na Hepes, 0.2 M Calcium Chloride, VAPOR DIFFUSION, HANGING DROP, temperature 294K, pH 7.5 |
