5ZYI
Crystal structure of CERT START domain in complex with compound E16
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2017-07-22 |
Detector | RIGAKU RAXIS VII |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 60.100, 60.100, 153.460 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.900 |
R-factor | 0.2158 |
Rwork | 0.214 |
R-free | 0.25280 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.666 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.000 | 25.000 | 1.850 |
High resolution limit [Å] | 1.800 | 8.050 | 1.800 |
Rmerge | 0.051 | 0.019 | 0.957 |
Rmeas | 0.055 | 0.021 | 1.037 |
Number of reflections | 26872 | 368 | 1968 |
<I/σ(I)> | 21.01 | 55.8 | 1.81 |
Completeness [%] | 99.5 | 96.8 | 100 |
Redundancy | 6.798 | 5.492 | 6.779 |
CC(1/2) | 0.999 | 0.999 | 0.693 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 293 | 0.1M trisodium citrate/HCl buffer, pH 5.9, containing 24% PEG3350 and 0.2% n-octyl-beta-D-glucoside |