5GSA
EED in complex with an allosteric PRC2 inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-04-16 |
Detector | MAR CCD 130 mm |
Wavelength(s) | 0.97930 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 93.793, 177.908, 50.532 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.940 - 2.490 |
R-factor | 0.1854 |
Rwork | 0.182 |
R-free | 0.25500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qxv |
RMSD bond length | 0.010 |
RMSD bond angle | 1.170 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | BUSTER-TNT (2.11.5) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.590 |
High resolution limit [Å] | 2.490 | 5.380 | 2.500 |
Rmerge | 0.117 | 0.062 | 0.535 |
Number of reflections | 30316 | ||
<I/σ(I)> | 9.9 | ||
Completeness [%] | 99.6 | 99.6 | 99.8 |
Redundancy | 6.3 | 6.5 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 8 | 293 | 0.1 M TRIS, 16% PEG 8000 |