5ZYH
Crystal structure of CERT START domain in complex with compound E5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2016-01-15 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 60.090, 60.090, 153.770 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.950 |
R-factor | 0.214 |
Rwork | 0.212 |
R-free | 0.25240 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.889 |
Data reduction software | MOSFLM (7.2.1) |
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] | 55.970 | 55.970 | 2.000 |
High resolution limit [Å] | 1.950 | 8.940 | 1.950 |
Rmerge | 0.063 | 0.043 | 0.414 |
Rmeas | 0.074 | 0.055 | 0.483 |
Rpim | 0.038 | 0.033 | 0.243 |
Total number of observations | 81037 | ||
Number of reflections | 21424 | 280 | 1481 |
<I/σ(I)> | 14.5 | ||
Completeness [%] | 100.0 | 99.2 | 100 |
Redundancy | 3.8 | 3.1 | 3.8 |
CC(1/2) | 0.992 | 0.970 | 0.799 |
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 |