6R38
T. brucei FPPS in complex with 2-(2,5-dichlorobenzo[b]thiophen-3-yl)acetic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-26 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.999960 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 60.839, 60.839, 339.990 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 56.660 - 2.330 |
R-factor | 0.225 |
Rwork | 0.224 |
R-free | 0.24910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ryp |
RMSD bond length | 0.010 |
RMSD bond angle | 1.000 |
Data reduction software | XDS (20180126) |
Data scaling software | Aimless (0.7.2) |
Phasing software | PHASER (2.8.2) |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.665 | 2.370 |
High resolution limit [Å] | 2.330 | 2.330 |
Rmerge | 0.328 | 11.166 |
Rmeas | 0.337 | 11.456 |
Rpim | 0.077 | 2.541 |
Number of reflections | 17098 | 812 |
<I/σ(I)> | 9.5 | 0.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 18.6 | 19.8 |
CC(1/2) | 0.998 | 0.458 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.12 M Cesium chloride, 12 %w/v PEG 3350, 12 % v/v DMSO |