1BCJ
MANNOSE-BINDING PROTEIN-A MUTANT (QPDWGHV) COMPLEXED WITH N-ACETYL-D-GALACTOSAMINE
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-07 |
| Detector | RIGAKU RAXIS II |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 80.920, 84.530, 97.860 |
| Unit cell angles | 90.00, 104.49, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.100 |
| R-factor | 0.22 |
| Rwork | 0.220 |
| R-free | 0.26100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1afb |
| RMSD bond length | 0.007 |
| RMSD bond angle | 21.300 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.200 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.057 | 0.283 |
| Number of reflections | 35683 | |
| <I/σ(I)> | 11.4 | 3.8 |
| Completeness [%] | 95.7 | 96.9 |
| Redundancy | 2.5 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8 | 20 * | drop solution was mixed with an equal volume of reservoir solution * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10-20 (mg/ml) | |
| 2 | 1 | drop | 10 (mM) | ||
| 3 | 1 | drop | 10 (mM) | ||
| 4 | 1 | drop | GalNAc | 200 (mM) | |
| 5 | 1 | drop | MPD | ||
| 6 | 1 | reservoir | PEG8000 | 12-15 (%) | |
| 7 | 1 | reservoir | Tris-HCl | 100 (mM) | |
| 8 | 1 | reservoir | 20 (mM) | ||
| 9 | 1 | reservoir | 0.02 (%) |
