1ZA0
X-ray structure of putative acyl-ACP desaturase DesA2 from Mycobacterium tuberculosis H37Rv
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 150 |
| Detector technology | CCD |
| Collection date | 2003-12-01 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | .91 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 66.100, 66.100, 292.000 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.300 - 2.000 |
| R-factor | 0.20754 |
| Rwork | 0.206 |
| R-free | 0.23653 |
| Structure solution method | MAD |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.633 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.300 | 2.090 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.088 | 0.340 |
| Number of reflections | 25065 | |
| <I/σ(I)> | 33.8 | 2.6 |
| Completeness [%] | 96.8 | 75.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 279 | Before crystallization trials, DesA2 was dialyzed in a Slide-ALyzer dialysis cassette (Pierce) in 25 mM HEPES, pH 7.0 containing 25 mM NaCl for 20h at 4degC. Crystals of DesA2 were grown by the method of hanging drop vapor diffusion at room temperature.Typically, 2 mL of DesA2 at 10 mg/mL was combined with an equal volume of 17% methyl ether polyethylene glycol, 10 mM MnCl2, 20 mM Bis Tris propane, pH 7.0, and 30 mM sodium acetate, pH4.5., VAPOR DIFFUSION, HANGING DROP, temperature 279K |
