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 |