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 |