4NVT
Crystal Structure of Triosephosphate Isomerase from Brucella melitensis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-24 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.9787 |
| Spacegroup name | P 1 |
| Unit cell lengths | 51.910, 60.600, 86.170 |
| Unit cell angles | 104.57, 99.46, 90.31 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| R-factor | 0.1792 |
| Rwork | 0.176 |
| R-free | 0.23023 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kxq |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.532 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 57366 | |
| <I/σ(I)> | 12.1 | 2.7 |
| Completeness [%] | 98.1 | 96.9 |
| Redundancy | 3.94 | 3.97 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | MCSG1a11: 10% PEG4K, 0.2M MgCl2, 0.1M Mes pH6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
