5IIC

Crystal structure of red abalone VERL repeat 3 at 2.9 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-01-25
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97625
Spacegroup name	P 1 21 1
Unit cell lengths	58.330, 81.640, 111.630
Unit cell angles	90.00, 99.60, 90.00

Refinement procedure

Resolution	47.017 - 2.900
R-factor	0.2545
Rwork	0.251
R-free	0.30960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3set 3SEX and 4WRN
RMSD bond length	0.003
RMSD bond angle	0.548
Data reduction software	XDS (20141118)
Data scaling software	XDS (20141118)
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.805	3.004
High resolution limit [Å]	2.900	2.900
Rmerge	0.173	1.300
Number of reflections	22737
<I/σ(I)>	7.32	1.2
Completeness [%]	98.0	97
Redundancy	4	4
CC(1/2)	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	20% PEG 4000, 20% isopropanol, 0.1M tri-sodium citrate