3KWB
Structure of CatK covalently bound to a dioxo-triazine inhibitor
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-02-13 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.452, 69.338, 90.850 |
| Unit cell angles | 90.00, 98.83, 90.00 |
Refinement procedure
| Resolution | 27.470 - 2.020 |
| R-factor | 0.202 |
| Rwork | 0.194 |
| R-free | 0.26300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 2.202 |
| Data reduction software | DENZO |
| Data scaling software | SCALA (3.1.20) |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.461 | 2.120 |
| High resolution limit [Å] | 2.017 | 2.010 |
| Rmerge | 0.068 | 0.181 |
| Number of reflections | 23819 | |
| <I/σ(I)> | 13 | 4.1 |
| Completeness [%] | 93.1 | 82.7 |
| Redundancy | 2.3 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 3.4 | 298 | 30%(W/V) PEG 4000 and 150 mM Ammonium Sulfate pH 3.4 3 microliter of protein at 10 mg/ml and 2 microliter of reservoir solution. , VAPOR DIFFUSION, HANGING DROP, temperature 298K |
