2H1H
E. coli heptosyltransferase WaaC with ADP-2-deoxy-2-fluoro heptose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-02-14 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9798 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 77.530, 88.900, 90.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.400 |
| Rwork | 0.222 |
| R-free | 0.26900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gt1 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.373 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.460 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 25116 | |
| <I/σ(I)> | 15.6 | 2.7 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 5.6 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 291 | 15% PEG 1500, 100 mM Hepes, 100 mM NaCl, 1 mM ADP-2F-heptose, pH 7.0, VAPOR DIFFUSION, temperature 291K |
