1KHQ
ORTHORHOMBIC FORM OF PAPAIN/ZLFG-DAM COVALENT COMPLEX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | MACSCIENCE |
| Temperature [K] | 289 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-04-22 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.890, 96.740, 49.880 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.600 |
| R-factor | 0.149 |
| Rwork | 0.147 |
| R-free | 0.16900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ppn |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.024 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.670 |
| High resolution limit [Å] | 1.600 | 1.630 * |
| Rmerge | 0.059 | 0.290 |
| Total number of observations | 211148 * | |
| Number of reflections | 26000 | |
| <I/σ(I)> | 14.7 | 3.8 |
| Completeness [%] | 94.5 | 89.6 |
| Redundancy | 8.1 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.2 | 292 | 72% methanol/ethanol (2:1), 34 mM NaCl, 50 mM 2-aminoethanol/HCl, pH 9.2, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | 34 (mM) | ||
| 2 | 1 | reservoir | 2-aminoethanol-HCl | 50 (mM) | pH9.2 |
| 3 | 1 | drop | protein | 30 (mg/ml) |
