4IN4
Crystal structure of cpd 15 bound to Keap1 Kelch domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-04-23 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.9793 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 80.604, 96.509, 142.462 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 96.510 - 2.590 |
R-factor | 0.1937 |
Rwork | 0.191 |
R-free | 0.24960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zgk |
RMSD bond length | 0.014 |
RMSD bond angle | 1.931 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 96.700 | 2.730 |
High resolution limit [Å] | 2.590 | 2.590 |
Rmerge | 0.200 | 0.840 |
Number of reflections | 35183 | |
<I/σ(I)> | 9.5 | 3.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.3 | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 294 | 3.5M Sodium Formate pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 294K |