4QYM

The crystal structure of a solute-binding protein (N280D mutant) from Anabaena variabilis ATCC 29413 in complex with methionine

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	2013-11-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	C 2 2 21
Unit cell lengths	100.964, 97.555, 150.151
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.629 - 1.581
R-factor	0.1705
Rwork	0.168
R-free	0.21200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nv3
RMSD bond length	0.006
RMSD bond angle	1.024
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.630	1.610
High resolution limit [Å]	1.580	1.580
Rmerge	0.076	0.416
Number of reflections	100412
<I/σ(I)>	39.8	3.86
Completeness [%]	99.4	93.6
Redundancy	5.9	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	0.2M MgCl, 0.1M Bis-Tris:HCl, 25%(w/v) PEG3350, 10mM Valine, Soaking condition - 0.2M MgCl, 0.1M Bis-Tris:HCl, 25%(w/v) PEG3350, 10mM Methionine, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K