3ZFU
Crystal structure of substrate-like, unprocessed N-terminal protease Npro mutant S169P with sulphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Collection date | 2012-07-24 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.150, 41.070, 46.030 |
| Unit cell angles | 90.00, 98.95, 90.00 |
Refinement procedure
| Resolution | 30.500 - 1.760 |
| R-factor | 0.19776 |
| Rwork | 0.195 |
| R-free | 0.24395 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zfn |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.057 |
| 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] | 45.460 | 1.800 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.070 | 0.370 |
| Number of reflections | 14102 | |
| <I/σ(I)> | 6.9 | 2.1 |
| Completeness [%] | 89.6 | 93.7 |
| Redundancy | 2.2 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 100MM NAACETATE, PH 8.5 25% PEG6000 |
