1IBQ
ASPERGILLOPEPSIN FROM ASPERGILLUS PHOENICIS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200H |
| Temperature [K] | 290 |
| Detector technology | AREA DETECTOR |
| Collection date | 1999-01-01 |
| Detector | ENRAF-NONIUS FAST |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.190, 36.620, 104.940 |
| Unit cell angles | 90.00, 113.49, 90.00 |
Refinement procedure
| Resolution | 26.340 - 2.140 |
| R-factor | 0.21 |
| Rwork | 0.221 |
| R-free | 0.26900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | MADNESS |
| Data scaling software | SCALA |
| Phasing software | SHELX |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.340 | 2.270 |
| High resolution limit [Å] | 2.140 | 2.140 |
| Rmerge | 0.068 | 0.120 |
| Total number of observations | 88563 * | |
| Number of reflections | 26402 | |
| <I/σ(I)> | 11.4 | |
| Completeness [%] | 86.6 * | 43.7 * |
| Redundancy | 3.3 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 18% PEG8000, 0.1M sodium cacodylate, 0.2M zinc acetate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 2 | 1 | reservoir | PEG8000 | 18 (%) | |
| 3 | 1 | reservoir | sodium cacodylate | 0.1 (M) | |
| 4 | 1 | reservoir | zinc acetate | 200 (mM) |
