3ZFO
Crystal structure of substrate-like, unprocessed N-terminal protease Npro mutant S169P
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-12-21 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.330, 41.050, 46.250 |
| Unit cell angles | 90.00, 98.95, 90.00 |
Refinement procedure
| Resolution | 42.840 - 2.010 |
| R-factor | 0.20295 |
| Rwork | 0.200 |
| R-free | 0.25473 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zfn |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.826 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.000 | 2.060 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.150 | 0.550 |
| Number of reflections | 10911 | |
| <I/σ(I)> | 26.7 | 3.2 |
| Completeness [%] | 98.9 | 85.3 |
| Redundancy | 3.9 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 100MM NAACETATE, PH 8.5 25% PEG6000 |
