4NXF

Crystal structure of iLOV-I486(2LT) at pH 8.0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	200
Detector technology	CCD
Collection date	2013-01-20
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	37.233, 64.897, 49.362
Unit cell angles	90.00, 102.59, 90.00

Refinement procedure

Resolution	24.203 - 1.766
R-factor	0.1974
Rwork	0.196
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ees
RMSD bond length	0.008
RMSD bond angle	1.238
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MLPHARE
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.800
High resolution limit [Å]	1.766	1.766
Number of reflections	21167
Completeness [%]	93.9	98.2
Redundancy		3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	289	protein sample (20-30 mg/ml) in 20mM Tris, pH 8.0, 50mM NaCl, equal volume of reservoir solution (0.2M Ammonium acetate, 0.1M Tris pH 8.0, 16% w/v Polyethylene glycol 10000), VAPOR DIFFUSION, SITTING DROP, temperature 289.0 K