3Q37
Identification of Amino Acids that Account for Long-Range Interactions in Proteins Using Two Triosephosphate Isomerases from Pathogenic Trypanosomes.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2008-11-09 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 83.594, 77.258, 85.387 |
Unit cell angles | 90.00, 116.60, 90.00 |
Refinement procedure
Resolution | 41.750 - 1.650 |
R-factor | 0.1905 |
Rwork | 0.189 |
R-free | 0.22040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tcd |
RMSD bond length | 0.006 |
RMSD bond angle | 1.005 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 54.310 | 1.730 | |
High resolution limit [Å] | 1.650 | 5.220 | 1.650 |
Rmerge | 0.088 | 0.052 | 0.338 |
Number of reflections | 107171 | ||
<I/σ(I)> | 10.5 | 18.8 | 3.9 |
Completeness [%] | 91.9 | 83.7 | 82.4 |
Redundancy | 3.1 | 3.4 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 278 | 0.2 Sodium malonate, 20% PEG 3350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 278K |