4RDC

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

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	2013-11-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	35.011, 113.357, 40.404
Unit cell angles	90.00, 105.94, 90.00

Refinement procedure

Resolution	19.581 - 1.198
R-factor	0.1337
Rwork	0.133
R-free	0.15550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	:4NQR
RMSD bond length	0.005
RMSD bond angle	1.094
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]	20.000	1.220
High resolution limit [Å]	1.200	1.200
Rmerge	0.069	0.526
Number of reflections	93123
<I/σ(I)>	37.4	2.23
Completeness [%]	98.8	91.9
Redundancy	3.8	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	289	ORIGINAL CRYSTALLIZATION CONDITION:0.2M MgCl, 0.1M BIS-TRIS:HCl, 25%(w/v)PEG3350, 10MM Alanine. CRYSTAL SOAKING CONDITION:0.2M MgCl, 0.1M BIS-TRIS:HCl, 25%(w/v)PEG3350, 10MM Proline, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K