4RB4
Crystal structure of dodecameric iron-containing heptosyltransferase TibC in complex with ADP-D-beta-D-heptose at 3.9 angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2014-06-29 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 88.292, 313.196, 164.695 |
| Unit cell angles | 90.00, 101.26, 90.00 |
Refinement procedure
| Resolution | 20.040 - 3.880 |
| R-factor | 0.2826 |
| Rwork | 0.282 |
| R-free | 0.29457 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4rap |
| RMSD bond length | 0.015 |
| RMSD bond angle | 0.238 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 20.040 |
| High resolution limit [Å] | 3.880 |
| Number of reflections | 75852 |
| Completeness [%] | 98.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 8% PEG 8000, 120mM magnesium acetate, 100mM MES buffer pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
