2GWL
Crystal structure of the Salmonella SpvB ATR Domain in complex with NADH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X9A |
Synchrotron site | NSLS |
Beamline | X9A |
Collection date | 2003-11-17 |
Wavelength(s) | 0.979 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 55.585, 55.585, 143.577 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 1.900 |
R-factor | 0.195 |
Rwork | 0.194 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.021 |
RMSD bond angle | 1.865 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 1.970 |
High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
Rmerge | 0.040 | 0.023 | 0.367 |
Number of reflections | 21074 | ||
<I/σ(I)> | 20.6 | ||
Completeness [%] | 99.7 | 97.2 | 100 |
Redundancy | 5.4 | 4.9 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |