5ZYM
Crystal structure of CERT START domain in complex with compound E25B
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 | 59.868, 59.868, 153.757 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.900 |
R-factor | 0.1823 |
Rwork | 0.180 |
R-free | 0.22840 |
RMSD bond length | 0.020 |
RMSD bond angle | 2.113 |
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] | 28.460 | 28.460 | 1.940 |
High resolution limit [Å] | 1.900 | 8.910 | 1.900 |
Rmerge | 0.102 | 0.050 | 0.444 |
Rmeas | 0.110 | 0.057 | 0.500 |
Rpim | 0.041 | 0.025 | 0.223 |
Number of reflections | 22919 | 272 | 1522 |
<I/σ(I)> | 11.9 | ||
Completeness [%] | 99.9 | 95.7 | 99.6 |
Redundancy | 6.9 | 4.7 | 4.9 |
CC(1/2) | 0.997 | 0.994 | 0.775 |
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 |