5E3V
Truncated X-ray crystal structure of Adenylosuccinate Lyase from Salmonella typhimurium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-05-16 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9537 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 165.360, 165.360, 79.120 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.290 - 2.720 |
R-factor | 0.27681 |
Rwork | 0.274 |
R-free | 0.32581 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2pts |
RMSD bond length | 0.017 |
RMSD bond angle | 1.933 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.000 | 2.870 |
High resolution limit [Å] | 2.720 | 2.720 |
Rmerge | 0.120 | |
Number of reflections | 15037 | |
<I/σ(I)> | 10.7 | 3.2 |
Completeness [%] | 99.9 | |
Redundancy | 12 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7 | 291 | 0.1M sodium acetate trihydrate pH 4.0 and 10% Jeffamine M-600 pH 7.0 and 0.1M EDTA, under oil microbatch method |