4MAF

Soybean ATP Sulfurylase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	C 2 2 2
Unit cell lengths	204.268, 230.751, 159.197
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.210 - 2.480
R-factor	0.1751
Rwork	0.173
R-free	0.22150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xnj
RMSD bond length	0.008
RMSD bond angle	1.149
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall
Low resolution limit [Å]	48.211
High resolution limit [Å]	2.480
Number of reflections	123420
<I/σ(I)>	18
Completeness [%]	93.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	277	0.1 M HEPES, pH 7.3, 18% PEG-8000, 0.2 M NaCl, 5 mM APS, VAPOR DIFFUSION, HANGING DROP, temperature 277K