2Z9L
complex structure of SARS-CoV 3C-like protease with JMF1586
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL12B2 |
Synchrotron site | SPring-8 |
Beamline | BL12B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-01-22 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.920, 96.000, 67.590 |
Unit cell angles | 90.00, 103.62, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.100 |
R-factor | 0.199 |
Rwork | 0.196 |
R-free | 0.25900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1z1i |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.091 | 0.578 |
Number of reflections | 37117 | |
<I/σ(I)> | 18.4 | 3.1 |
Completeness [%] | 98.2 | 99.5 |
Redundancy | 3 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 15% PEG 6000, 4~14% DMSO, 0.1 mM DTT, 0.1 M MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |