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 |