3M4U
Crystal Structure of Trypanosoma brucei Protein Tyrosine Phosphatase TbPTP1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-01-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.158 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.632, 77.377, 117.195 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.714 - 2.392 |
| R-factor | 0.2013 |
| Rwork | 0.199 |
| R-free | 0.25610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.065 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.5_2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.440 |
| High resolution limit [Å] | 2.400 | 6.510 | 2.400 |
| Rmerge | 0.100 | 0.027 | 0.656 |
| Number of reflections | 28099 | ||
| <I/σ(I)> | 11.7 | ||
| Completeness [%] | 99.8 | 98.3 | 99.9 |
| Redundancy | 5 | 4.7 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 291 | 10% PEG 3000 0.1 M CHES pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
