5MR2

Crystal structure of red abalone VERL repeat 2 with linker at 2.5 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-02
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.8729
Spacegroup name	C 1 2 1
Unit cell lengths	69.920, 79.190, 81.240
Unit cell angles	90.00, 102.62, 90.00

Refinement procedure

Resolution	47.006 - 2.500
R-factor	0.2386
Rwork	0.234
R-free	0.28020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5iia 5iib 5iic
RMSD bond length	0.008
RMSD bond angle	1.132
Data reduction software	XDS (May 1, 2016 BUILT=20160617)
Data scaling software	XDS (May 1, 2016 BUILT=20160617)
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.010	2.589
High resolution limit [Å]	2.500	2.500
Rmerge	0.138	2.386
Number of reflections	15039
<I/σ(I)>	7.79	0.62
Completeness [%]	100.0	100
Redundancy	4.5	4.4
CC(1/2)	0.996	0.222

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.6	293	0.2 M ammonium formate pH 6.6, 20% PEG 3350