3S5X
Structure of the cyanobacterial Oscillatoria Agardhii Agglutinin (OAA) in complex with a3,a6 mannopentaose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-07-01 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.192, 49.070, 69.247 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.190 - 1.650 |
| R-factor | 0.18156 |
| Rwork | 0.178 |
| R-free | 0.21874 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3s5v |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.532 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0044) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.190 | 1.710 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.056 | 0.118 |
| Number of reflections | 13024 | |
| <I/σ(I)> | 27.5 | 13.2 |
| Completeness [%] | 96.4 | 87.4 |
| Redundancy | 12.02 | 8.91 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 2.0 M (NH4)SO4 and 0.1 M Tris-HCl (pH 8.5) with protein and 3,6-mannopentaose at molar ratios of 1:2, 1:3, or 1:4 (the protein concentration kept at 40 mg/ml), VAPOR DIFFUSION, SITTING DROP, temperature 298K |
