6NP7
Crystal structure of Trypanosoma cruzi bromodomain BDF2 (TcCLB.506553.20)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-01-14 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.54 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 69.317, 66.085, 60.580 |
Unit cell angles | 90.00, 110.89, 90.00 |
Refinement procedure
Resolution | 32.060 - 2.160 |
R-factor | 0.2054 |
Rwork | 0.203 |
R-free | 0.26700 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.372 |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.200 |
High resolution limit [Å] | 2.160 | 5.860 | 2.160 |
Rmerge | 0.095 | 0.060 | 0.438 |
Rmeas | 0.118 | 0.074 | 0.558 |
Rpim | 0.069 | 0.044 | 0.339 |
Number of reflections | 13243 | 697 | 523 |
<I/σ(I)> | 10.1 | ||
Completeness [%] | 94.7 | 95.7 | 74.8 |
Redundancy | 2.5 | 2.7 | 1.8 |
CC(1/2) | 0.991 | 0.711 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 1.4M NaCitrate, and 0.1M HEPES pH7.5 |