4NSL
X-ray Crystal structure of Adenylosuccinate Lyase from Salmonella typhimurium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2012-10-28 |
Detector | MAR scanner 345 mm plate |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 87.708, 102.297, 198.399 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.610 - 3.000 |
R-factor | 0.223 |
Rwork | 0.220 |
R-free | 0.27400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2pts |
RMSD bond length | 0.006 |
RMSD bond angle | 0.763 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.050 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.150 | 0.400 |
Number of reflections | 35555 | |
<I/σ(I)> | 8.7 | 2.3 |
Redundancy | 13 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 291 | 0.1 M HEPES sodium pH 7.5 containing 10% v/v 2-propanol and 20% w/v polyethylene glycol 4,000, Under Oil, Microbatch Method, temperature 291.0K |