4DXE
2.52 Angstrom resolution crystal structure of the acyl-carrier-protein synthase (AcpS)-acyl carrier protein (ACP) protein-protein complex from Staphylococcus aureus subsp. aureus COL
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-09 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97928 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 76.968, 102.961, 77.298 |
Unit cell angles | 90.00, 115.87, 90.00 |
Refinement procedure
Resolution | 28.820 - 2.510 |
R-factor | 0.20257 |
Rwork | 0.200 |
R-free | 0.25449 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3F09 (AcpS) 1F80 (ACP) |
RMSD bond length | 0.007 |
RMSD bond angle | 1.156 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.560 |
High resolution limit [Å] | 2.510 | 2.510 |
Rmerge | 0.093 | 0.557 |
Number of reflections | 36820 | |
<I/σ(I)> | 13.34 | 2.43 |
Completeness [%] | 100.0 | 100 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 295 | AcpS:ACP 1:1 molar ratio (0.33:0.33 mM) in 10 mM Tris-HCl pH 8.3, 0.5 M NaCl, 5 mM BME. The PACT suite B2 (#14: 0.1 M MIB buffer pH 5.0, 25 %(w/v) PEG1500), VAPOR DIFFUSION, SITTING DROP, temperature 295K |