4HHD

2.75 Angstrom resolution crystal structure of the A. thaliana LOV2 domain with an extended N-terminal A' helix (cryo dark structure)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	105
Detector technology	CCD
Collection date	2007-10-17
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9002
Spacegroup name	P 41 21 2
Unit cell lengths	63.382, 63.382, 171.318
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.720 - 2.750
R-factor	0.23399
Rwork	0.231
R-free	0.28940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2v0u
RMSD bond length	0.008
RMSD bond angle	1.312
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.800
High resolution limit [Å]	2.750	2.750
Rmerge	0.070	0.585
Number of reflections	8574
<I/σ(I)>	17.5	2.2
Completeness [%]	87.9	86.6
Redundancy	3.3	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	287	Protein at 21 mg/mL in 20 mM TRIS-HCl pH 7.4, 20 mM NaCl, 15 % glycerol Crystallization: The JCSG+ Suite (D12: 0.04 M Potassium phosphate, 16% (w/v) PEG 8000, 20% (v/v) glycerol), VAPOR DIFFUSION, SITTING DROP, temperature 287K