6IX9
The structure of LepI C52A in complex with SAM and leporin C
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 | 2018-04-23 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97930 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 161.348, 62.255, 113.874 |
Unit cell angles | 90.00, 113.49, 90.00 |
Refinement procedure
Resolution | 35.955 - 1.776 |
R-factor | 0.1864 |
Rwork | 0.185 |
R-free | 0.20800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ix3 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.140 |
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 | 1.810 |
High resolution limit [Å] | 1.770 | 1.770 |
Rmerge | 0.095 | 1.932 |
Rpim | 0.027 | 0.616 |
Number of reflections | 99372 | 4888 |
<I/σ(I)> | 33.6 | |
Completeness [%] | 99.8 | |
Redundancy | 13 | |
CC(1/2) | 1.000 | 0.692 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1M sodium citrate/citric acid(pH 5.5), 15%(w/v) PEG 10000, 2%(v/v) dioxane |