6T0J
Crystal structure of CYP124 in complex with SQ109
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.972 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.540, 75.110, 56.590 |
| Unit cell angles | 90.00, 106.84, 90.00 |
Refinement procedure
| Resolution | 29.540 - 1.250 |
| R-factor | 0.1496 |
| Rwork | 0.148 |
| R-free | 0.18290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6t0f |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.143 |
| Data reduction software | XDS (20180409) |
| Data scaling software | XSCALE (20180409) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 1.130 |
| High resolution limit [Å] | 1.100 | 4.920 | 1.100 |
| Rmeas | 0.193 | 0.058 | 2.751 |
| Number of reflections | 162381 | 1926 | 11133 |
| <I/σ(I)> | 5.5 | 28.9 | 0.4 |
| Completeness [%] | 97.4 | 99.1 | 90.9 |
| Redundancy | 6.5 | 7 | 5.7 |
| CC(1/2) | 0.997 | 0.997 | 0.168 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1 M Tris, 0.3 M Magnesium formate |
