4I56
HMG-CoA reductase from pseudomonas mevalonii complexed with dithio-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) | 0.90 |
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 | 28.710 - 1.500 |
R-factor | 0.16905 |
Rwork | 0.168 |
R-free | 0.18882 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.020 |
RMSD bond angle | 1.745 |
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] | 30.000 | 1.690 | 1.550 |
High resolution limit [Å] | 1.500 | 1.620 | 1.500 |
Number of reflections | 150463 | ||
Completeness [%] | 97.3 | 99.7 | 87.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 1.2M ammonium sulfate, 75mM sodium citrate, 100 mM sodium ADA with microseeding, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |