4HW8
2.25 Angstrom Structure of the Extracellular Solute-binding Protein from Staphylococcus aureus in complex with Maltose.
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 | 2012-10-18 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 65 |
Unit cell lengths | 102.363, 102.363, 190.308 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.860 - 2.251 |
R-factor | 0.16872 |
Rwork | 0.166 |
R-free | 0.21499 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2zy0 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.372 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | BALBES |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.290 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.104 | 0.539 |
Number of reflections | 53334 | |
<I/σ(I)> | 15.8 | 2.6 |
Completeness [%] | 99.9 | 97.8 |
Redundancy | 5.7 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295 | Protein: 7.4mg/mL, 0.25M Sodium cloride, 0.01M Tris-HCl pH 8.3; Screen: Classics II (A6), 0.1M Tris-HCl pH 8.5, 2M Ammonium sulfate., VAPOR DIFFUSION, SITTING DROP, temperature 295K |