4DVQ
Structure of human aldosterone synthase, CYP11B2, in complex with deoxycorticosterone
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Detector technology | CCD |
Collection date | 2012-01-26 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97949 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 130.347, 199.629, 150.153 |
Unit cell angles | 90.00, 112.18, 90.00 |
Refinement procedure
Resolution | 48.070 - 2.490 |
R-factor | 0.207 |
Rwork | 0.204 |
R-free | 0.26300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.319 |
Data reduction software | XDS |
Data scaling software | SCALA (CCP4_3.3.9) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.550 | 48.550 | 2.620 |
High resolution limit [Å] | 2.490 | 7.870 | 2.490 |
Rmerge | 0.083 | 0.020 | 0.940 |
Number of reflections | 245749 | ||
<I/σ(I)> | 12.7435 | ||
Completeness [%] | 99.2 | 99.51 | 95.08 |
Redundancy | 4.24 | 4.2 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 298 | 6% PEG 4000, 0.1M Tris, pH 8.5, 0.2M Lithium sulfate, vapor diffusion, hanging drop, temperature 298K | |
1 | 8.5 | 298 | 6% PEG 4000, 0.1M Tris, pH 8.5, 0.2M Lithium sulfate, vapor diffusion, hanging drop, temperature 298K |