6IX7
The structure of LepI C52A in complex with SAH and substrate analogue
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97915 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 161.281, 62.133, 113.591 |
Unit cell angles | 90.00, 113.66, 90.00 |
Refinement procedure
Resolution | 32.961 - 1.835 |
R-factor | 0.181 |
Rwork | 0.181 |
R-free | 0.19110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ix3 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.903 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX (v1.12_2829) |
Refinement software | PHENIX (v1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.860 |
High resolution limit [Å] | 1.830 | 1.830 |
Rmerge | 0.101 | 1.647 |
Rpim | 0.035 | 0.555 |
Number of reflections | 89126 | 6607 |
<I/σ(I)> | 35 | |
Completeness [%] | 98.7 | |
Redundancy | 9.1 | |
CC(1/2) | 0.996 | 0.920 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1M magnesium chloride hexahydrate, 0.1M ADA(pH 6.5), 12%(w/v) PEG 6000 |