6DJT

Structure of TYW1 with a lysine-pyruvate adduct bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-08-02
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	58.260, 80.109, 86.456
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.314 - 1.640
R-factor	0.1697
Rwork	0.168
R-free	0.19540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2z2u
RMSD bond length	0.007
RMSD bond angle	0.841
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.700
High resolution limit [Å]	1.640	1.640
Number of reflections	47373	3369
<I/σ(I)>	30.2	2.2
Completeness [%]	94.1	68
Redundancy	6.5	4.4
CC(1/2)	0.942	0.942

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294.15	100 mM potassium phosphate monobasic /sodium phosphate dibasic pH 6.2, 10% (w/v) PEG 3000