6X6G
Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with droperidol
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 | 2018-07-11 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.00 |
Spacegroup name | H 3 2 |
Unit cell lengths | 175.010, 175.010, 124.465 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.003 - 2.150 |
Rwork | 0.173 |
R-free | 0.20550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6x10 |
RMSD bond length | 0.004 |
RMSD bond angle | 1.312 |
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 | 2.190 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.130 | 0.650 |
Number of reflections | 39772 | 1994 |
<I/σ(I)> | 19 | |
Completeness [%] | 99.3 | |
Redundancy | 6.3 | |
CC(1/2) | 0.990 | 0.780 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 294 | 0.1 M Tris-HCl pH 8.5, 13% PEG 8000 and 0.4 M (NH4)2SO4; KAN (5 mM) and CoA (4 mM). Replace 0.4 M (NH4)2SO4; KAN (5 mM) with 0.5 mM inhibitor in soaking crystals. |