1B5F
NATIVE CARDOSIN A FROM CYNARA CARDUNCULUS L.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-04-05 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 116.964, 87.186, 81.303 |
| Unit cell angles | 90.00, 104.43, 90.00 |
Refinement procedure
| Resolution | 34.800 - 1.720 |
| R-factor | 0.205 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | HUMAN CATHEPSIN D (PDB ENTRY 1LYB)) |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.025 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.780 | 1.750 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.062 | 0.413 |
| Number of reflections | 84399 | |
| <I/σ(I)> | 15.9 | 2.5 |
| Completeness [%] | 96.9 | 99.3 |
| Redundancy | 11.3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 5.5 | Bento, I., (1998) Acta Cryst., D54, 991. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 12 (mg/ml) | |
| 2 | 1 | reservoir | PEG4000 | 40 (%) | |
| 3 | 1 | reservoir | sodium citrate | 0.1 (M) | pH5.5 |
| 4 | 1 | reservoir | ammonium acetate | 0.2 (M) |
