3UR6
1.5A resolution structure of apo Norwalk Virus Protease
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-01-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 37.244, 35.932, 112.974 |
Unit cell angles | 90.00, 97.96, 90.00 |
Refinement procedure
Resolution | 36.568 - 1.500 |
R-factor | 0.181 |
Rwork | 0.180 |
R-free | 0.20360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fyq |
RMSD bond length | 0.014 |
RMSD bond angle | 1.459 |
Data reduction software | XDS |
Data scaling software | SCALA (CCP4_3.3.20) |
Phasing software | MOLREP |
Refinement software | PHENIX (dev_845) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 111.890 | 111.890 | 1.580 |
High resolution limit [Å] | 1.500 | 4.740 | 1.500 |
Rmerge | 0.046 | 0.020 | 0.560 |
Total number of observations | 4692 | 21664 | |
Number of reflections | 47402 | ||
<I/σ(I)> | 12.6179 | 35.39 | 2.08 |
Completeness [%] | 99.1 | 95.03 | 99.68 |
Redundancy | 3.24 | 3.06 | 3.14 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 20% PEG 3350, 100 mM sodium thiocyanate, vapor diffusion, temperature 293K |