4R6G

Crystal structure of computational designed leucine rich repeats DLRR_K in space group P22121

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Detector technology	CCD
Collection date	2014-08-21
Detector	RIGAKU SATURN 70
Wavelength(s)	1.5418
Spacegroup name	P 2 21 21
Unit cell lengths	36.868, 93.369, 126.237
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.800
R-factor	0.2115
Rwork	0.208
R-free	0.28534
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.475
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (MR)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	3.020	2.900
High resolution limit [Å]	2.800	2.900	2.800
Number of reflections	10729
<I/σ(I)>	8.95	2.64	2.32
Completeness [%]	99.7	100	99.2
Redundancy	6.2	5.9	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	20% PEG 3000, 0.1 M Tris, 0.2 M CalciumAcetate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K