5ACC
A Novel Oral Selective Estrogen Receptor Down-regulator, AZD9496, drives Tumour Growth Inhibition in Estrogen Receptor positive and ESR1 Mutant Models
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 110 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 57.860, 57.860, 274.040 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.110 - 1.880 |
R-factor | 0.21915 |
Rwork | 0.217 |
R-free | 0.26628 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | IN-HOUSE MODEL |
RMSD bond length | 0.011 |
RMSD bond angle | 1.329 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.810 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.060 | 0.520 |
Number of reflections | 26271 | |
<I/σ(I)> | 13.4 | 2.8 |
Completeness [%] | 99.1 | 99.4 |
Redundancy | 6.9 | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 0.1 M PCTP, PH 6.5 (0.04 M SODIUM PROPIONATE, 0.02 M SODIUM CACODYLATE, 0.04 M BIS-TRIS PROPANE), 22% PEG3350, 0.2M MGCL2 |