3KXQ
Crystal structure of triosephosphate isomerase from bartonella henselae at 1.6A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979464 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.900, 141.050, 44.930 |
| Unit cell angles | 90.00, 109.68, 90.00 |
Refinement procedure
| Resolution | 42.280 - 1.600 |
| R-factor | 0.156 |
| Rwork | 0.155 |
| R-free | 0.18600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1b9b modified with CCP4 program CHAINSAW |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.519 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0104) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.640 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.049 | 0.333 |
| Number of reflections | 67886 | |
| <I/σ(I)> | 24.93 | 4.6 |
| Completeness [%] | 98.1 | 91 |
| Redundancy | 6.4 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 290 | JCSG+ SCREEN #12: 20% PEG 3350, 200MM NA NITRATE, BAHEA.01246.A AT 21.8MG/ML, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K |
