6XNQ
Crystal Structure of Argininosuccinate synthase from Legionella pneumophila Philadelphia 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-08-08 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 122.990, 102.660, 147.660 |
Unit cell angles | 90.00, 95.93, 90.00 |
Refinement procedure
Resolution | 42.860 - 1.950 |
R-factor | 0.1638 |
Rwork | 0.163 |
R-free | 0.19370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1j20 as per Morda |
RMSD bond length | 0.007 |
RMSD bond angle | 0.817 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MoRDa |
Refinement software | PHENIX (1.18.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.860 | 42.860 | 2.000 |
High resolution limit [Å] | 1.950 | 8.720 | 1.950 |
Rmerge | 0.084 | 0.050 | 0.506 |
Rmeas | 0.096 | 0.058 | 0.580 |
Total number of observations | 560249 | ||
Number of reflections | 132663 | 1528 | 9816 |
<I/σ(I)> | 10.52 | 23.2 | 2.7 |
Completeness [%] | 99.9 | 98.5 | 99.9 |
Redundancy | 4.223 | 3.999 | 4.238 |
CC(1/2) | 0.996 | 0.996 | 0.849 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 287 | Rigaku Reagents JCSG+ screen, G8: 25% (w/V) PEG 3350, 200mM NaCl, 100mM BisTris / HCl pH 5.5: LepnA.00809.a.B1.PS38414 at 17.3mg/ml: tray 299030 g8: cryo 15%EG, puck rjp0-8 |