7M8V
Human CYP11B2 in complex with LCI699
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-08-09 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.1271 |
| Spacegroup name | P 1 |
| Unit cell lengths | 123.946, 126.423, 174.928 |
| Unit cell angles | 82.81, 70.03, 79.37 |
Refinement procedure
| Resolution | 37.950 - 3.080 |
| R-factor | 0.2023 |
| Rwork | 0.202 |
| R-free | 0.24190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fdh |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.624 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.000 | 3.120 |
| High resolution limit [Å] | 3.070 | 3.070 |
| Rpim | 0.081 | 0.620 |
| Number of reflections | 164951 | 8467 |
| <I/σ(I)> | 9.3 | 1.2 |
| Completeness [%] | 92.8 | 95 |
| Redundancy | 3.7 | 3.5 |
| CC(1/2) | 0.988 | 0.549 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1 M HEPES (pH 7.5) 4% PEG 8,000 |
