2GQR

SAICAR Synthetase Complexed with ADP-Mg2+

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CCD
Detector	NOIR-1
Wavelength(s)	0.97900, 0.97884, 0.98671
Spacegroup name	P 21 21 21
Unit cell lengths	59.290, 67.160, 148.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.930 - 2.000
R-factor	0.208
Rwork	0.204
R-free	0.23900
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	1.300
Data scaling software	d*TREK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.390	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.067	0.331
Total number of observations		21027
Number of reflections	40775	3842
<I/σ(I)>	16.3	4.7
Completeness [%]	99.6	95.8
Redundancy	7.02	5.42

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, 50 mM ADP, 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