5CXD
1.75 Angstrom resolution crystal structure of the apo-form acyl-carrier-protein synthase (AcpS) (acpS; purification tag off) from Staphylococcus aureus subsp. aureus COL in the I4 space group
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 | 2015-06-29 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | I 4 |
Unit cell lengths | 103.117, 103.117, 71.189 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.290 - 1.750 |
R-factor | 0.17027 |
Rwork | 0.169 |
R-free | 0.20336 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jm7 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.436 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.780 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.077 | 0.740 |
Number of reflections | 37637 | |
<I/σ(I)> | 22.86 | 2.34 |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.4 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 295 | Protein (purification tag off): 4.6 mg/mL in 10 mM Tris-HCL pH 8.3, 500 mM NaCl 5 mM BME 1 mM CaCl2 150 mM imidazole Crystallization: The PACT Suite B8(20): 200 mM Ammonium chloride 100 mM MES pH 6.0 20 % (w/v) PEG 6000 Cryo: crystallization condition |