1N3Z
Crystal structure of the [S-carboxyamidomethyl-Cys31, S-carboxyamidomethyl-Cys32] monomeric derivative of the bovine seminal ribonuclease in the liganded state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 70.690, 28.820, 67.520 |
| Unit cell angles | 90.00, 119.20, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.650 |
| R-factor | 0.188 |
| Rwork | 0.186 |
| R-free | 0.23000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 26.400 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.037 | 0.098 |
| Total number of observations | 99192 * | |
| Number of reflections | 14570 | |
| <I/σ(I)> | 42 | 14 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.7 | 293 | PEG 4000, sodium acetate, acetonitrile, glycerol (cryoprotectant), TRIS-HCl, pH 8.7, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 7.5 (mg/ml) | |
| 2 | 1 | reservoir | PEG4000 | 28 (%(w/v)) | |
| 3 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH8.7 |
| 4 | 1 | reservoir | sodium acetate | 0.2 (M) | |
| 5 | 1 | reservoir | acetonitrile | 15 (%(v/v)) | pH8.8 |
