5VBS

Structural basis for a six letter alphabet including GATCKX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2015-08-06
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9792
Spacegroup name	P 21 21 2
Unit cell lengths	54.999, 145.643, 46.876
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.722 - 1.749
R-factor	0.21
Rwork	0.209
R-free	0.23850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xo0
RMSD bond length	0.007
RMSD bond angle	1.114
Data reduction software	DENZO
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	1.780
High resolution limit [Å]	1.740	4.750	1.750
Rmerge	0.038	0.027	0.299
Rmeas	0.042	0.030	0.338
Rpim	0.017	0.013	0.154
Number of reflections	38374
<I/σ(I)>	15.1
Completeness [%]	98.4	95.3	92.3
Redundancy	5.3	5	4.4
CC(1/2)		0.998	0.932

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277.15	10 % PEG 4000, 5 mM magnesium acetate and 50 mM ADA (pH 6.5)