3MP5
Crystal Structure of Human Lyase R41M in complex with HMG-CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 197.980, 116.660, 86.520 |
| Unit cell angles | 90.00, 112.16, 90.00 |
Refinement procedure
| Resolution | 28.350 - 2.250 |
| R-factor | 0.221 |
| Rwork | 0.221 |
| R-free | 0.27100 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3mp4 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.350 | 2.330 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Number of reflections | 86171 | |
| <I/σ(I)> | 15.9 | 2.1 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 5 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 292 | PEG8K, Hepes buffer, MgCl2 and HMG-CoA, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
