5ZYJ
Crystal structure of CERT START domain in complex with compound E16A
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 | 2017-10-04 |
Detector | RIGAKU |
Wavelength(s) | 1.5406 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 59.989, 59.989, 152.981 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.900 |
R-factor | 0.2028 |
Rwork | 0.200 |
R-free | 0.25430 |
RMSD bond length | 0.020 |
RMSD bond angle | 2.052 |
Data reduction software | CrysalisPro |
Data scaling software | Aimless (0.5.32) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 27.920 | 27.920 | 1.940 |
High resolution limit [Å] | 1.900 | 8.910 | 1.900 |
Rmerge | 0.067 | 0.024 | 0.534 |
Rmeas | 0.074 | 0.031 | 0.599 |
Rpim | 0.030 | 0.018 | 0.263 |
Total number of observations | 129894 | ||
Number of reflections | 22527 | 269 | 1315 |
<I/σ(I)> | 18 | ||
Completeness [%] | 98.4 | 97 | 87.9 |
Redundancy | 5.8 | 3.2 | 5 |
CC(1/2) | 0.998 | 0.990 | 0.729 |
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 |