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)) |