6B0U
Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with a Lys-containing peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-04 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 109.902, 175.866, 85.129 |
| Unit cell angles | 90.00, 120.49, 90.00 |
Refinement procedure
| Resolution | 37.000 - 2.800 |
| R-factor | 0.21424 |
| Rwork | 0.212 |
| R-free | 0.25953 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3r1k |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.207 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | HKL-2000 |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.710 | 2.850 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.060 | 0.240 |
| Number of reflections | 30053 | |
| <I/σ(I)> | 14 | |
| Completeness [%] | 87.0 | 87 |
| Redundancy | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | peptide (1 mM) and CoA (1 mM) with protein in a 1:1 ration with reservoir solution (Tris-HCl (100 mM, pH 8.5) and PEG 8,000 (13% w/v)) |
