6R07
T. cruzi FPPS in complex with 2-(5-chlorobenzo[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 | 2017-05-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.99984 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 57.839, 57.839, 394.505 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.090 - 1.570 |
R-factor | 0.19 |
Rwork | 0.189 |
R-free | 0.21390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dwg |
RMSD bond length | 0.010 |
RMSD bond angle | 0.880 |
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] | 65.751 | 1.595 |
High resolution limit [Å] | 1.568 | 1.568 |
Rmerge | 0.082 | 4.446 |
Rmeas | 0.084 | 4.568 |
Rpim | 0.019 | 1.043 |
Number of reflections | 56620 | 2739 |
<I/σ(I)> | 19.4 | 0.7 |
Completeness [%] | 99.7 | 100 |
Redundancy | 18.8 | 18.8 |
CC(1/2) | 1.000 | 0.342 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293.15 | 80 mM MES: 8.5 mM ZnSO4: 19.42 % PEG MME 550: 15% glycerol |