2GQS
SAICAR Synthetase Complexed with CAIR-Mg2+ and ADP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 120 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.430, 67.120, 149.310 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.960 - 2.050 |
R-factor | 0.224 |
Rwork | 0.220 |
R-free | 0.26300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.910 | 2.120 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.059 | 0.280 |
Number of reflections | 34593 | |
<I/σ(I)> | 14.8 | 4.2 |
Completeness [%] | 90.4 | 61.7 |
Redundancy | 5.94 | 4.36 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 296 | Well Solution: 3.4-3.8 M sodium formate, 50 mM Tris; Protein Solution: 15 mg/mL protein, 1.5 mM CAIR, 50 mM ADP, 10 mM L-aspartate, 5 mM DTT, 5 mM EDTA, 15 mM Tris, 25 mM KCl, 55 mM magnesium chloride , pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K |