4NXJ
Crystal Structure of PF3D7_1475600, a bromodomain from Plasmodium Falciparum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-09-27 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.240, 41.352, 107.432 |
Unit cell angles | 90.00, 93.37, 90.00 |
Refinement procedure
Resolution | 29.890 - 2.180 |
R-factor | 0.2051 |
Rwork | 0.203 |
R-free | 0.25030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | FFAS03 model of 3g0l |
RMSD bond length | 0.010 |
RMSD bond angle | 1.040 |
Data scaling software | Aimless (0.2.8) |
Phasing software | PHASER |
Refinement software | BUSTER-TNT |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.750 | 35.750 | 2.250 |
High resolution limit [Å] | 2.180 | 9.000 | 2.180 |
Rmerge | 0.081 | 0.021 | 0.357 |
Total number of observations | 989 | 3938 | |
Number of reflections | 18730 | ||
<I/σ(I)> | 11.1 | 36.6 | 3.1 |
Completeness [%] | 95.5 | 98.2 | 66 |
Redundancy | 1.7 | 1.8 | 1.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 293 | 25% PEG3350, 0.3 M KAcetate, pH 7.5, microbatch, temperature 293K |