5KWD

Computationally Designed Symmetric Homotetramer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-28
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	77.770, 89.470, 99.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.403 - 2.750
R-factor	0.2345
Rwork	0.229
R-free	0.28110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.521
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.403	2.820
High resolution limit [Å]	2.380	2.750
Rmerge		0.640
Number of reflections	27140
<I/σ(I)>	3	1.1
Completeness [%]	97.1	100
Redundancy	2	1.9
CC(1/2)		0.530

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293.15	2.1M DL-Malic acid pH 7.0