6EGC

Single-chain version of 2L4HC2_23 (PDB 5J0K)

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	2016-03-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.999978
Spacegroup name	P 1 21 1
Unit cell lengths	41.253, 49.360, 41.239
Unit cell angles	90.00, 104.30, 90.00

Refinement procedure

Resolution	22.520 - 1.740
R-factor	0.2304
Rwork	0.227
R-free	0.26580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Computational design model
RMSD bond length	0.019
RMSD bond angle	1.448
Data reduction software	HKL-2000 (v715)
Data scaling software	HKL-2000 (v715)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX ((dev_3112: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.500
High resolution limit [Å]	1.470	1.470
Rmerge	0.055	2.723
Rmeas	0.064	3.794
Rpim	0.034
Number of reflections	20818	79
<I/σ(I)>	7.3	0.15
Completeness [%]	75.5	5.8
Redundancy	3.4	1.1
CC(1/2)		0.647

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291.15	Molecular Dimensions Morpheus H9 (0.1M Amino acids, 0.1M Buffer System 3 pH 8.5, 50% (v/v) Precipitant Mix 1)