4NDZ
Structure of Maltose Binding Protein fusion to 2-O-Sulfotransferase with bound heptasaccharide and PAP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-08-05 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 155.720, 170.690, 183.960 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.661 - 3.450 |
| R-factor | 0.1775 |
| Rwork | 0.176 |
| R-free | 0.22750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f5f |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.841 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.510 |
| High resolution limit [Å] | 3.450 | 3.450 |
| Number of reflections | 64322 | |
| <I/σ(I)> | 2.3 | |
| Completeness [%] | 99.1 | 93.8 |
| Redundancy | 6 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 295 | 17.9% PEG 4000, 60mM sodium citrate, 120mM ammonium acetate, 10.5% glycerol, 10mM hexamine cobalt chloride, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
