5LPK
Crystal structure of the bromodomain of human EP300 bound to the inhibitor XDM1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-11-23 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 133.600, 61.040, 135.680 |
| Unit cell angles | 90.00, 98.31, 90.00 |
Refinement procedure
| Resolution | 41.520 - 2.100 |
| R-factor | 0.1778 |
| Rwork | 0.176 |
| R-free | 0.20290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | apo-p300 (pdb 3I3J) |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.301 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.3.11) |
| Phasing software | PHASER (2.5.5) |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 41.520 | 41.520 | 1.810 |
| High resolution limit [Å] | 1.780 | 9.740 | 1.780 |
| Rmerge | 0.130 | 0.036 | 2.986 |
| Rmeas | 0.040 | 3.447 | |
| Rpim | 0.017 | 1.682 | |
| Total number of observations | 3323 | 19616 | |
| Number of reflections | 104124 | ||
| <I/σ(I)> | 7 | 28.9 | 0.4 |
| Completeness [%] | 99.9 | 98.6 | 99.8 |
| Redundancy | 4.8 | 4.9 | 3.9 |
| CC(1/2) | 0.997 | 0.999 | 0.168 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 6.5 | 277 | PEG 3350, NaCl |
