1AS4
CLEAVED ANTICHYMOTRYPSIN A349R
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-01 |
| Detector | RIGAKU RAXIS II |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 71.700, 78.350, 79.230 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.198 |
| Rwork | 0.198 |
| R-free | 0.24000 |
| Structure solution method | DIFFERENCE FOURIER |
| RMSD bond length | 0.006 |
| RMSD bond angle | 24.460 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.066 | 0.235 |
| Total number of observations | 95680 * | |
| Number of reflections | 26288 | |
| <I/σ(I)> | 8.9 | 2.6 |
| Completeness [%] | 98.7 | 93.8 |
| Redundancy | 3.6 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 5.6 | 14% PEG MONOMETHYLETHER 5000, 0.2 M MAGNESIUM ACETATE 0.1 M SODIUM ACETATE PH 5.6 PROTEIN AT 3 MG/ML |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 1.8 (mg/ml) | |
| 2 | 1 | drop | PEG5000 | 5.4 (%) | |
| 3 | 1 | drop | magnesium acetate | 0.08 (M) | |
| 4 | 1 | drop | sodium citrate | 0.04 (M) | |
| 5 | 1 | reservoir | PEG5000 | 14 (%) | |
| 6 | 1 | reservoir | magnesium acetate | 0.2 (M) | |
| 7 | 1 | reservoir | sodium citrate | 0.1 (M) |
