4RS2
1.55 Angstrom Crystal Structure of GNAT Family N-acetyltransferase (YhbS) from Escherichia coli in Complex with CoA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-04-10 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 |
Unit cell lengths | 32.863, 44.658, 57.023 |
Unit cell angles | 80.40, 80.25, 90.17 |
Refinement procedure
Resolution | 27.690 - 1.550 |
R-factor | 0.16621 |
Rwork | 0.164 |
R-free | 0.20328 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.650 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.580 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.075 | 0.544 |
Number of reflections | 44460 | |
<I/σ(I)> | 16.2 | 2.7 |
Completeness [%] | 96.7 | 95 |
Redundancy | 3.9 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 295 | Protein: 7.8mg/ml, 0.25M Sodium chloride, 0.01M Tris-HCl (pH 8.3); Screen: PACT (D2), 0.1M MMT buffer (pH 5.0), 25% (w/v) PEG 1500, VAPOR DIFFUSION, SITTING DROP, temperature 295K |