1QLP
2.0 ANGSTROM STRUCTURE OF INTACT ALPHA-1-ANTITRYPSIN: A CANONICAL TEMPLATE FOR ACTIVE SERPINS
Replaces: 2PSIExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1998-09-09 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 114.680, 39.260, 90.270 |
| Unit cell angles | 90.00, 104.21, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.000 |
| R-factor | 0.231 |
| Rwork | 0.231 |
| R-free | 0.26600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | THERMOSTABLE VARIANT ALPHA1-ANTITRYPSIN (PDB ENTRY 1PSI) |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.307 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS (0.5) |
| Refinement software | CNS (0.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.079 | 0.503 * |
| Total number of observations | 156306 * | |
| Number of reflections | 25057 | |
| <I/σ(I)> | 5.9 | 1.6 |
| Completeness [%] | 93.6 | 95.2 |
| Redundancy | 3.3 | 2.2 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6 | 18 * | 24% PEG 4000, 0.2 M SODIUM ACETATE, 0.1M TRIS-HCL PH 6.0, 2MM FESO4.7H20 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG4000 | 24 (%(w/v)) | |
| 2 | 1 | reservoir | 0.2 (M) | ||
| 3 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH6.0 |
| 4 | 1 | reservoir | 2 (mM) |
