1D2O
CRYSTAL STRUCTURE OF A SINGLE B REPEAT UNIT (B1) OF COLLAGEN BINDING SURFACE PROTEIN (CNA) OF STAPHYLOCOCCUS AUREUS.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1997-05-12 |
Detector | RIGAKU RAXIS IV |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 96.907, 101.538, 121.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.000 |
R-factor | 0.212 |
Rwork | 0.212 |
R-free | 0.25600 |
RMSD bond length | 0.006 |
RMSD bond angle | 27.100 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASES |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.130 |
High resolution limit [Å] | 2.300 | 2.000 |
Rmerge | 0.060 | 0.256 |
Number of reflections | 24426 | |
<I/σ(I)> | 16 | |
Completeness [%] | 90.6 | 88 |
Redundancy | 7.4 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | Ammonium sulfate, Succinic acid buffer, BOG , pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | ammp,ium sulfate | 4 (M) | |
2 | 1 | reservoir | succinic acid | 50 (mM) | |
3 | 1 | reservoir | octyl beta-D-glucopyranoside | 10 (%(w/v)) |