5ZYL
Crystal structure of CERT START domain in complex with compound E25A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | AREA DETECTOR |
Collection date | 2017-10-03 |
Detector | RIGAKU |
Wavelength(s) | 1.5406 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 60.006, 60.006, 153.455 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.800 |
R-factor | 0.1769 |
Rwork | 0.174 |
R-free | 0.22430 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.749 |
Data reduction software | CrysalisPro |
Data scaling software | Aimless (0.5.32) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.690 | 30.690 | 1.840 |
High resolution limit [Å] | 1.800 | 9.000 | 1.800 |
Rmerge | 0.105 | 0.034 | 0.720 |
Rmeas | 0.111 | 0.037 | 0.784 |
Rpim | 0.035 | 0.015 | 0.303 |
Total number of observations | 263927 | ||
Number of reflections | 26974 | 279 | 1571 |
<I/σ(I)> | 16.8 | ||
Completeness [%] | 100.0 | 97.2 | 100 |
Redundancy | 9.8 | 5.9 | 6.1 |
CC(1/2) | 0.998 | 0.999 | 0.779 |
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 |