3HZS
S. aureus monofunctional glycosyltransferase (MtgA)in complex with moenomycin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E DW |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-09-12 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54 |
Spacegroup name | H 3 2 |
Unit cell lengths | 114.422, 114.422, 128.844 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 23.120 - 2.100 |
R-factor | 0.19183 |
Rwork | 0.189 |
R-free | 0.24379 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Unpublished apo structure of MTGA |
RMSD bond length | 0.019 |
RMSD bond angle | 1.800 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.120 | 2.200 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 45531 | |
<I/σ(I)> | 13.6 | 3.2 |
Completeness [%] | 99.9 | 100 |
Redundancy | 3.9 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 295 | Sa MtgA E100Q at 10 mg/ml was mixed with 1mM Moenomycin and 1mM MnCl2 and incubated on ice for ~3 hours. Precipitated material was removed by centrifugation at 16,000xg for 5 minutes. The Mmoenomycin complex was crystallized by hanging drop vapor diffusion, mixing the protein 1:1 with a reservoir solution containing 0.1M Na Acetate pH 4.6, 0.2M NaCl, 30% MPD at 22oC. Hexagonal plate crystals formed in 1 week., VAPOR DIFFUSION, SITTING DROP, temperature 295K |