4OTZ

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

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	2013-11-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97883
Spacegroup name	C 2 2 21
Unit cell lengths	98.738, 100.952, 150.458
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.847 - 1.360
R-factor	0.1406
Rwork	0.139
R-free	0.16660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	: 4NQR
RMSD bond length	0.005
RMSD bond angle	1.044
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.000	1.380
High resolution limit [Å]	1.360	1.360
Rmerge	0.067	0.588
Number of reflections	158080
<I/σ(I)>	31.3	1.6
Completeness [%]	98.7	83.8
Redundancy	5.9	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	Original crystallization condition: 0.2 M Potassium Chloride, 20% (w/v) PEG 3350, 10mM valine. Crystal soaking condition: 0.2 M Potassium Chloride, 20% (w/v) PEG 3350, 10mM cystein, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K