2PEE
Crystal Structure of a Thermophilic Serpin, Tengpin, in the Native 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 | 2005-04-03 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 217.939, 217.939, 217.939 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 154.000 - 2.700 |
| R-factor | 0.197 |
| Rwork | 0.195 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 2PEF 1sng |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.502 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 154.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.660 | |
| Number of reflections | 43616 | |
| <I/σ(I)> | 14.4 | 2.2 |
| Completeness [%] | 97.8 | 98.1 |
| Redundancy | 3 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 294 | 2M (NH4)2SO4, VAPOR DIFFUSION, HANGING DROP, temperature 294K, pH 8.0 |
