3MP3
Crystal Structure of Human Lyase in complex with inhibitor HG-CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-04-25 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 197.370, 117.000, 86.870 |
| Unit cell angles | 90.00, 112.31, 90.00 |
Refinement procedure
| Resolution | 29.700 - 2.400 |
| R-factor | 0.212 |
| Rwork | 0.212 |
| R-free | 0.28100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cw6 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Phasing software | CCP4 |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.700 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 66824 | |
| <I/σ(I)> | 8.8 | 2 |
| Completeness [%] | 92.3 | 64.6 |
| Redundancy | 3.7 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 292 | PEG8K, HEPEs buffer, MgCl2, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
