5C0M
Crystal structure of SGF29 tandem tudor domain in complex with a Carba containing peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-12-18 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.54184 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.109, 65.193, 105.217 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.170 - 1.600 |
R-factor | 0.205 |
Rwork | 0.204 |
R-free | 0.23910 |
Starting model (for MR) | 3me9 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.384 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.7) |
Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.170 | 37.170 | 1.630 |
High resolution limit [Å] | 1.600 | 8.770 | 1.600 |
Rmerge | 0.073 | 0.030 | 0.775 |
Rpim | 0.030 | 0.013 | 0.320 |
Total number of observations | 308623 | 1896 | 13706 |
Number of reflections | 45670 | ||
<I/σ(I)> | 17.6 | 45.9 | 2.6 |
Completeness [%] | 99.1 | 98.2 | 92.1 |
Redundancy | 6.8 | 5.6 | 6.6 |
CC(1/2) | 0.999 | 0.999 | 0.766 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 25% PEG3350, 0.1 M ammonium sulfate, 0.1 M Bis-Tris, pH 5.5 |