4FDH
Structure of human aldosterone synthase, CYP11B2, in complex with fadrozole
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-24 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97931 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 129.751, 199.086, 150.018 |
Unit cell angles | 90.00, 112.08, 90.00 |
Refinement procedure
Resolution | 48.890 - 2.710 |
R-factor | 0.22814 |
Rwork | 0.224 |
R-free | 0.29959 |
Structure solution method | MOLECULAR REPLACEMENT |
Data scaling software | SCALA (CCP4_3.3.9) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.190 | 49.190 | 2.860 |
High resolution limit [Å] | 2.710 | 8.570 | 2.710 |
Rmerge | 0.090 | 0.011 | 0.011 |
Total number of observations | 21719 | 85684 | |
Number of reflections | 179030 | ||
<I/σ(I)> | 10.5434 | ||
Completeness [%] | 99.0 | 97.71 | 95.22 |
Redundancy | 3.6 | 3.63 | 3.24 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 12% PEG 4000, 0.1M Tris, pH 8.5, 0.2M Lithium sulfate, vapor diffusion, hanging drop, temperature 298K |