4F1W
Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with Adenine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-08-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.075 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.050, 68.120, 89.660 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.950 - 1.360 |
R-factor | 0.11455 |
Rwork | 0.113 |
R-free | 0.14597 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3o4v |
RMSD bond length | 0.010 |
RMSD bond angle | 1.435 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0025) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.240 | 1.430 |
High resolution limit [Å] | 1.360 | 1.360 |
Rmerge | 0.112 | |
Number of reflections | 87459 | |
<I/σ(I)> | 12.9 | 2.6 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 11.5 | 11.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 1.0M (NH4)2HPO4, 0.1M Imidazole, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |