5XU7
Crystal structure of Escherichia coli holo-[acyl-carrier-protein] synthase (AcpS)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-06-01 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9792 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 97.620, 97.620, 96.140 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.840 |
R-factor | 0.17719 |
Rwork | 0.175 |
R-free | 0.21357 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qmn |
RMSD bond length | 0.006 |
RMSD bond angle | 0.990 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.810 | 1.940 |
High resolution limit [Å] | 1.840 | 1.840 |
Rmerge | 0.083 | 0.603 |
Rpim | 0.024 | 0.176 |
Number of reflections | 40765 | 5866 |
<I/σ(I)> | 19 | 4.4 |
Completeness [%] | 99.4 | 99.5 |
Redundancy | 12.7 | 12.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 8 | 277 | 10mM Tris-HCl pH 8.0, 100mM NaCl, 10mM MgCl2, 1mM DTT |