6IX8
The structure of LepI C52A in complex with SAM and its substrate analogue
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-24 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97930 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 160.800, 62.562, 113.836 |
| Unit cell angles | 90.00, 113.34, 90.00 |
Refinement procedure
| Resolution | 28.802 - 1.659 |
| R-factor | 0.1692 |
| Rwork | 0.168 |
| R-free | 0.19720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ix3 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.496 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX (1.12_2829) |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.690 |
| High resolution limit [Å] | 1.658 | 1.658 |
| Rmerge | 0.066 | 1.072 |
| Number of reflections | 122483 | 4777 |
| <I/σ(I)> | 25.8 | |
| Completeness [%] | 99.7 | |
| Redundancy | 6.2 | |
| CC(1/2) | 0.731 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2M ammonium chloride, 0.1M MES(pH 6), 20%(w/v) PEG 6000 |
