3TQE
Structure of the malonyl CoA-acyl carrier protein transacylase (fabD) from Coxiella burnetii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4C |
| Synchrotron site | NSLS |
| Beamline | X4C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-24 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 173.360, 63.184, 42.769 |
| Unit cell angles | 90.00, 98.81, 90.00 |
Refinement procedure
| Resolution | 85.660 - 1.500 |
| R-factor | 0.14726 |
| Rwork | 0.146 |
| R-free | 0.17105 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.465 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 72582 | |
| <I/σ(I)> | 44.5 | 3.1 |
| Completeness [%] | 99.8 | 96.8 |
| Redundancy | 8 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 10.5 | 298 | 0.2 M Li sulfate, 0.1 M glycine, 1.2 M NaH2PO4, 0.8 M K2HPO4, pH 10.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
