7RXJ
Fab236 in complex with the C-terminal alpha-TSR domain of P. falciparum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-10-28 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.03320 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 130.137, 45.564, 201.087 |
Unit cell angles | 90.00, 94.04, 90.00 |
Refinement procedure
Resolution | 42.240 - 2.345 |
R-factor | 0.2193 |
Rwork | 0.217 |
R-free | 0.24860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Homology model |
RMSD bond length | 0.006 |
RMSD bond angle | 0.752 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((1.16_3549: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.440 |
High resolution limit [Å] | 2.345 | 2.345 |
Rpim | 0.055 | 0.254 |
Number of reflections | 46380 | 1678 |
<I/σ(I)> | 13.7 | 1.6 |
Completeness [%] | 96.7 | 71.1 |
Redundancy | 5.2 | 3.1 |
CC(1/2) | 0.946 | 0.828 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293.15 | 30% PEG2000 MME, 0.2 M ammonium sulfate, 0.1 M acetate, pH 4.6 |