1Y25
structure of mycobacterial thiol peroxidase Tpx
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-08-14 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 106.089, 106.089, 65.334 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.770 - 2.100 |
| R-factor | 0.17461 |
| Rwork | 0.171 |
| R-free | 0.24930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1psq |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.320 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 92.060 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.048 | 0.260 |
| Number of reflections | 24893 | |
| <I/σ(I)> | 19.7 | 3.7 |
| Completeness [%] | 99.4 | 98.5 |
| Redundancy | 3.5 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | ammonium sulfate, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K |
