4YAB
Crystal structure of TRIM24 PHD-bromodomain complexed with 1-methyl-5-(2-methyl-1 3-thiazol-4-yl)-2 3-dihydro-1H-indol-2-one (1)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-12-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.1159 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 88.640, 36.950, 128.921 |
Unit cell angles | 90.00, 110.03, 90.00 |
Refinement procedure
Resolution | 60.560 - 1.900 |
R-factor | 0.164 |
Rwork | 0.161 |
R-free | 0.21900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3o34 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.794 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless (0.3.11) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 60.560 | 60.560 | 1.940 |
High resolution limit [Å] | 1.900 | 9.110 | 1.900 |
Rmerge | 0.087 | 0.031 | 0.747 |
Rpim | 0.037 | 0.013 | 0.317 |
Total number of observations | 180291 | 2154 | 11521 |
Number of reflections | 29120 | ||
<I/σ(I)> | 12.8 | 32.2 | 2.2 |
Completeness [%] | 92.7 | 99.6 | 88.8 |
Redundancy | 6.2 | 6.6 | 6.4 |
CC(1/2) | 0.998 | 0.999 | 0.802 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 2.2-2.4M ammonium sulfate, 0.1M HEPES buffer pH 7.5, 2% PEG400 and 8-9% glycerol |