3B9G
Crystal structure of loop deletion mutant of Trypanosoma vivax nucleoside hydrolase (3GTvNH) in complex with ImmH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-06-25 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.8148 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.177, 74.881, 72.424 |
Unit cell angles | 90.00, 98.07, 90.00 |
Refinement procedure
Resolution | 40.320 - 1.400 |
R-factor | 0.177 |
Rwork | 0.177 |
R-free | 0.20400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hoz |
RMSD bond length | 0.008 |
RMSD bond angle | 1.252 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.320 | 1.436 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.072 | 0.605 |
Number of reflections | 112485 | |
<I/σ(I)> | 10.98 | 2.27 |
Completeness [%] | 99.9 | 99.73 |
Redundancy | 4.6 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 20% PEG 4000, 10mM sodium acetate, 0.25M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |