3T1P
Crystal structure of an alpha-1-antitrypsin trimer
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-08-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 41 3 2 |
| Unit cell lengths | 163.691, 163.691, 163.691 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.850 - 3.900 |
| R-factor | 0.23837 |
| Rwork | 0.231 |
| R-free | 0.29732 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ndd |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.506 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0098) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 4.110 |
| High resolution limit [Å] | 3.900 | 3.900 |
| Rmerge | 0.155 | 3.687 |
| Number of reflections | 7221 | |
| <I/σ(I)> | 9.6 | 1.2 |
| Completeness [%] | 99.2 | 100 |
| Redundancy | 29 | 30.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 18% (w/w) ethanol, 0.1M Tris-HCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
