7V6L
LcCOMT in complex with SAH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97774 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.393, 60.169, 129.901 |
| Unit cell angles | 90.00, 95.26, 90.00 |
Refinement procedure
| Resolution | 44.053 - 1.948 |
| R-factor | 0.1943 |
| Rwork | 0.192 |
| R-free | 0.23370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3reo |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-2000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 |
| High resolution limit [Å] | 1.948 | 1.948 |
| Rmeas | 0.129 | |
| Number of reflections | 51456 | 3108 |
| <I/σ(I)> | 14 | |
| Completeness [%] | 98.7 | |
| Redundancy | 6.6 | |
| CC(1/2) | 0.939 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.2 M Ammonium acetate, 0.1 M BIS-TRIS pH 6.5, 25% w/v Polyethylene glycol 3350 |
