1OJN
SPECIFICITY AND MECHANISM OF STREPTOCOCCUS PNEUMONIAE HYALURONATE LYASE: COMPLEX OF THE TYR408PHE MUTANT WITH 6-SULPHATED CHONDROITIN DISACCHARIDE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-06-15 |
Detector | OXFORD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 83.912, 104.200, 101.499 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.080 - 1.600 |
R-factor | 0.194 |
Rwork | 0.194 |
R-free | 0.20900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1c82 |
RMSD bond length | 0.005 |
RMSD bond angle | 23.400 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS (1.0) |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.080 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.085 | 0.503 |
Number of reflections | 63869 | |
<I/σ(I)> | 31.2 | 1.7 |
Completeness [%] | 99.5 * | 96.4 * |
Redundancy | 7.2 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7.4 * | 3.5M AMMONIUM SULFATE, 200MM SODIUM CACODYLATE, PH 6.0 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 5 (mg/ml) | |
2 | 1 | drop | Tris-HCl | 10 (mM) | pH7.4 |
3 | 1 | drop | EDTA | 150 (mM) | |
4 | 1 | drop | EDTA | 2 (mM) | |
5 | 1 | reservoir | chondroitin solution | 50 (mM) | |
6 | 1 | reservoir | Tris-HCl | 10 (mM) |