6X7A
Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT572
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-11 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.00 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 175.108, 175.108, 123.740 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.003 - 2.080 |
| Rwork | 0.171 |
| R-free | 0.19200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6x10 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.250 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.120 |
| High resolution limit [Å] | 2.080 | 2.080 |
| Rmerge | 0.090 | 0.770 |
| Number of reflections | 43424 | 2160 |
| <I/σ(I)> | 2.2 | |
| Completeness [%] | 99.4 | |
| Redundancy | 6.4 | |
| CC(1/2) | 1.000 | 0.850 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 0.1 M Tris-HCl pH 8.5, 13% PEG 8000 and 0.4 M (NH4)2SO4, 5 mM kanamycin, 4 mM CoA. Kanamycin, CoA and (NH4)2SO4 were replaced by 0.5 mM inhibitor on soaking. |
