5NSQ
Structure of Leucyl aminopeptidase from Trypanosoma brucei in complex with Actinonin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-09-17 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9200 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 95.909, 165.730, 121.980 |
Unit cell angles | 90.00, 112.45, 90.00 |
Refinement procedure
Resolution | 41.500 - 3.000 |
R-factor | 0.26617 |
Rwork | 0.265 |
R-free | 0.29641 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5nsk |
RMSD bond length | 0.011 |
RMSD bond angle | 1.443 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.500 | 3.070 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.116 | 0.440 |
Number of reflections | 68219 | |
<I/σ(I)> | 4.5 | 2 |
Completeness [%] | 97.0 | 98 |
Redundancy | 3.2 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Tris pH 8.0, 2.4 M (NH4)2SO4, 5 mM MnSO4, 5 mM actinonin |