8WTQ
HUMAN SQUALENE SYNTHASE IN COMPLEX WITH {1-[2-Chloro-5-(2,2-dimethyl-propyl)-13-(2-methoxy-phenyl)-6-oxo-6,7,10,11-tetrahydro-5H,9H,13H-12-oxa-5,8-diaza-benzocycloundecene-8-carbonyl]-piperidin-4-yl}-acetic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2003-02-01 |
Detector | RIGAKU RAXIS VII |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 87.382, 60.017, 86.049 |
Unit cell angles | 90.00, 117.07, 90.00 |
Refinement procedure
Resolution | 25.000 - 2.000 |
R-factor | 0.1591 |
Rwork | 0.157 |
R-free | 0.20582 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.641 |
Data reduction software | d*TREK (7.1SSI) |
Data scaling software | d*TREK (7.1SSI) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 27.980 | 27.980 | 2.070 |
High resolution limit [Å] | 2.000 | 4.300 | 2.000 |
Rmerge | 0.088 | 0.038 | 0.233 |
Rmeas | 0.088 | ||
Number of reflections | 26702 | 2630 | 2652 |
<I/σ(I)> | 6.6 | 14.5 | 2.8 |
Completeness [%] | 99.1 | 94.9 | 99.6 |
Redundancy | 2.45 | 2.52 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% PEG8000/ 50mM KH2PO4/ 1mM DTT. Complex crystal was prepared by soaking in 20% PEG8000/ 50mM KH2PO4, pH 6/ 1mM DTT |