4ITA
Structure of bacterial enzyme in complex with cofactor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | OTHER |
Wavelength(s) | 0.97948 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.911, 115.519, 180.105 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.743 - 1.400 |
R-factor | 0.1747 |
Rwork | 0.174 |
R-free | 0.18690 |
Structure solution method | Soaking data |
RMSD bond length | 0.006 |
RMSD bond angle | 1.132 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.450 |
High resolution limit [Å] | 1.400 | 3.020 | 1.400 |
Rmerge | 0.110 | 0.060 | 0.492 |
Number of reflections | 176565 | ||
<I/σ(I)> | 5.4 | ||
Completeness [%] | 99.7 | 97.8 | 99.6 |
Redundancy | 13.9 | 13.7 | 14.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |