1QXA
Crystal structure of Sortase B complexed with Gly3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2002-11-19 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 57.690, 67.230, 102.580 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.300 - 2.500 |
R-factor | 0.221 |
Rwork | 0.221 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.110 | |
Number of reflections | 6905 | |
Completeness [%] | 96.8 | 96 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 300 | Ammonium Sulfate, Sodium Chloride, MES, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 300K |