3H7Q
Crystal structure of the holo-[Acyl-Carrier-Protein] Synthase (ACPS) from Mycobacterium tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-04-20 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.8726 |
Spacegroup name | H 3 |
Unit cell lengths | 68.810, 68.810, 86.840 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.568 - 2.250 |
R-factor | 0.207 |
Rwork | 0.204 |
R-free | 0.24900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gwm |
RMSD bond length | 0.004 |
RMSD bond angle | 0.787 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.310 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.064 | 0.497 |
Number of reflections | 7176 | 553 |
<I/σ(I)> | 2.4 | |
Completeness [%] | 98.5 | 99.6 |
Redundancy | 3.2 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 9 | 297 | 90mM bicine pH 9.0, 17%(v/v) PEG MME 550, 15%(v/v) glycerol, 90mM NaCl, VAPOR DIFFUSION, temperature 297K |