3HYK
2.31 Angstrom resolution crystal structure of a holo-(acyl-carrier-protein) synthase from Bacillus anthracis str. Ames in complex with CoA (3',5'-ADP)
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 | 2009-06-04 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 77.526, 77.526, 122.965 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.990 - 2.310 |
| R-factor | 0.19263 |
| Rwork | 0.190 |
| R-free | 0.24654 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3F09 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.744 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0051) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.990 | 2.350 |
| High resolution limit [Å] | 2.310 | 2.310 |
| Rmerge | 0.123 | 0.553 |
| Number of reflections | 19381 | |
| <I/σ(I)> | 20.54 | 4.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 10.2 | 9.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | protein was mixed at 1:1 v/v ratio with PEG3350 25%, 0.2M MgCl2, 0.1M Hepes pH 7.5, 10mM CoA. 5% Glycerol, 5% sucrose, 55 Eth. Gl. in magic sol., paratone were used as cryo protectants. , VAPOR DIFFUSION, SITTING DROP, temperature 295K |
