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 |
