1PSI
Intact recombined alpha1-antitrypsin mutant PHE 51 to LEU
Experimental procedure
Source type | ROTATING ANODE |
Source details | ELLIOTT GX-11 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1996-02-12 |
Detector | MARRESEARCH |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 112.958, 38.508, 88.928 |
Unit cell angles | 90.00, 104.85, 90.00 |
Refinement procedure
Resolution | 6.000 - 2.900 * |
R-factor | 0.218 |
Rwork | 0.218 |
R-free | 0.28800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | CLEAVED ALPHA1-ANTITRYPSIN (PDB ENTRY 9API) |
RMSD bond length | 0.006 * |
RMSD bond angle | 1.270 * |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | X-PLOR |
Refinement software | X-PLOR |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 6.000 * | 3.110 |
High resolution limit [Å] | 2.900 * | 2.900 * |
Rmerge | 0.114 | 0.204 |
Number of reflections | 7651 | |
<I/σ(I)> | 8.36 | 4 |
Completeness [%] | 91.7 | 74.4 |
Redundancy | 2.2 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 6 | 18 * | 24% PEG, 0.2 M SODIUM ACETATE, 0.1 M TRIS.HCL, PH 6.0, 0.002 M FESO4, 25 DEG CELSIUS |
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) |