7M1Z
Targeting Enterococcus faecalis HMG-CoA reductase with a novel non-statin inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 150 |
Detector technology | CCD |
Collection date | 2007-04-03 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 1.0000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 241.289, 62.557, 171.925 |
Unit cell angles | 90.00, 133.49, 90.00 |
Refinement procedure
Resolution | 39.540 - 2.270 |
R-factor | 0.1979 |
Rwork | 0.196 |
R-free | 0.23920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1r31 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.340 |
High resolution limit [Å] | 2.260 | 4.870 | 2.260 |
Rmerge | 0.088 | 0.051 | 0.444 |
Total number of observations | 440737 | ||
Number of reflections | 76108 | 8803 | 5249 |
<I/σ(I)> | 9.7 | ||
Completeness [%] | 88.9 | 99.9 | 61.7 |
Redundancy | 5.8 | 6.1 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.5 mM NADP, 150 uM HMG-CoA, 0.1M MES pH 6.7, 50 mM colcium acetate, 8% PEG 8000. Protein at 10 mg/ml |