2VPM
Trypanothione synthetase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-07-20 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 70.522, 167.082, 84.921 |
Unit cell angles | 90.00, 94.11, 90.00 |
Refinement procedure
Resolution | 84.820 - 2.800 |
R-factor | 0.205 |
Rwork | 0.203 |
R-free | 0.25300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vob |
RMSD bond length | 0.009 |
RMSD bond angle | 1.205 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.3.0027) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.950 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.070 | 0.420 |
Number of reflections | 48090 | |
<I/σ(I)> | 14.5 | 2.5 |
Completeness [%] | 99.7 | 100 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |