4I4B
HMG-CoA Reductase from Pseudomonas mevalonii complexed with NAD and intermediate hemiacetal form of 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 | 2002-04-28 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9 |
| Spacegroup name | I 41 3 2 |
| Unit cell lengths | 226.082, 226.082, 226.082 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.830 - 1.700 |
| R-factor | 0.18015 |
| Rwork | 0.178 |
| R-free | 0.20184 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.133 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 27.830 | 30.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
| Rmerge | 0.047 | ||
| Number of reflections | 95482 | ||
| <I/σ(I)> | 25.9 | ||
| Completeness [%] | 96.4 | 85.3 | 93.2 |
| Redundancy | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.7 | 298 | 1.2M ammonium sulfate, 75mM sodium citrate, 100 mM sodium ADA, pH 6.7, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
