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 (%) |