4NXE

Crystal structure of iLOV-I486(2LT) at pH 6.5

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	37.474, 65.430, 49.565
Unit cell angles	90.00, 102.67, 90.00

Refinement procedure

Resolution	29.347 - 2.103
R-factor	0.2068
Rwork	0.205
R-free	0.25280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ees
RMSD bond length	0.003
RMSD bond angle	0.747
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	2.140
High resolution limit [Å]	2.100	2.100
Number of reflections	12433
Completeness [%]	91.2	97.5
Redundancy		3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	Protein sample (20-30 mg/ml protein, 20 mM Tris, pH 8.0, 50 mM NaCl), equal volume of reservoir solution (0.2M Magnesium acetate tetrahydrate, 0.1M Sodium cacodylate trihydrate pH 6.5, 20% w/v Polyethylene glycol 8000), VAPOR DIFFUSION, SITTING DROP, temperature 289.0K