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 |
