1N31
Structure of A Catalytically Inactive Mutant (K223A) of C-DES with a Substrate (Cystine) Linked to the Co-Factor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
| Synchrotron site | MPG/DESY, HAMBURG |
| Beamline | BW6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.05 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.681, 65.843, 172.563 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.920 - 2.200 |
| R-factor | 0.196 |
| Rwork | 0.196 |
| R-free | 0.25700 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1elq |
| RMSD bond length | 0.009 * |
| RMSD bond angle | 1.380 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 19.920 |
| High resolution limit [Å] | 2.200 |
| Rmerge | 0.062 * |
| Number of reflections | 35389 |
| Completeness [%] | 95.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.6 * | 20 * | citric acid, potassium phosphate, ammonium sulfate, peg8000, cystine(solid), pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10.3 (mg/ml) | |
| 2 | 1 | drop | MOPS | 10 (mM) | pH7.6 |
| 3 | 1 | reservoir | potassium phosphate | 100 (mM) | |
| 4 | 1 | reservoir | citric acid | 50 (mM) | |
| 5 | 1 | reservoir | PEG8000 | 27 (%(w/v)) | |
| 6 | 1 | reservoir | ammonium sulfate | 100 (mM) | pH6.5 |
