6T98
Trypanothione Reductase from Leishmania infantum in complex with 9a
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-10-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979260 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 103.430, 103.430, 192.790 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 68.380 - 3.000 |
R-factor | 0.217 |
Rwork | 0.215 |
R-free | 0.25710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2jk6 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.511 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.7.3) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 68.380 | 3.180 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.172 | 0.665 |
Rmeas | 0.192 | 0.733 |
Rpim | 0.081 | 0.298 |
Number of reflections | 21445 | 3411 |
<I/σ(I)> | 5.6 | |
Completeness [%] | 98.9 | 99.5 |
Redundancy | 5.3 | 5.7 |
CC(1/2) | 0.965 | 0.831 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 2.2M ammonium sulphate, 0.1M Tris-HCl pH 8-8.5 |