3NC6
CYP134A1 1-phenylimidazole bound structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-11 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9790 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.950, 106.900, 142.930 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.840 - 3.100 |
| R-factor | 0.21733 |
| Rwork | 0.214 |
| R-free | 0.27839 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.490 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.5.0070) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.060 | 3.180 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.110 | 0.430 |
| Number of reflections | 18488 | |
| <I/σ(I)> | 12.9 | 4 |
| Completeness [%] | 94.3 | 86.1 |
| Redundancy | 4.8 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1 M Bis-Tris, 0.1 M MgCl2, 12% (w/v) polyethylene glycol-3350, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
