5VS7
Bromodomain of PF3D7_1475600 from Plasmodium falciparum complexed with peptide H4K5ac
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-02-18 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97914 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.110, 41.510, 73.090 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.540 - 2.040 |
R-factor | 0.212 |
Rwork | 0.210 |
R-free | 0.24400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4nxj |
RMSD bond length | 0.010 |
RMSD bond angle | 0.670 |
Data reduction software | DENZO |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.080 |
High resolution limit [Å] | 2.040 | 2.040 |
Rmerge | 0.074 | 0.573 |
Rmeas | 0.080 | 0.071 |
Rpim | 0.031 | 0.028 |
Total number of observations | 53254 | |
Number of reflections | 8199 | 480 |
<I/σ(I)> | 7.2 | |
Completeness [%] | 99.5 | 99 |
Redundancy | 6.5 | 5.1 |
CC(1/2) | 0.997 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.9 | 277 | The protein was crystallized at 277K in 25% PEG3350, 0.1 M HEPES pH 7.9, using the vapor diffusion sitting drop method. Final concentration of 2 mM peptide H4K5ac (GRGKacGGK) was added directly to the concentrated protein immediately prior to setting up the crystallization plate. |