1SNG
Structure of a Thermophilic Serpin 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] | 298 |
| Detector technology | CCD |
| Collection date | 2003-07-02 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.354, 81.171, 106.625 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.200 - 1.760 |
| R-factor | 0.18775 |
| Rwork | 0.186 |
| R-free | 0.22255 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Regions of the PDB entry 1MTP predicted to remain relatively unchanged in the native state (residues 5-78; 168-309; 333-367). |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.032 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.200 | 1.800 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.084 | 0.425 |
| Number of reflections | 37423 | |
| <I/σ(I)> | 14.6 | 2.8 |
| Completeness [%] | 98.6 | |
| Redundancy | 3.4 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 293 | 30% PEG 4K, 0.2 M Ammonium Sulfate, 0.1 M Sodium Cacodylate. Additive 0.1 M L-cysteine to drop. , pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
