7WAN

Crystal structure of HaloTag complexed with UL2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-02
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97933
Spacegroup name	P 1 21 1
Unit cell lengths	43.906, 72.764, 44.432
Unit cell angles	90.00, 109.30, 90.00

Refinement procedure

Resolution	32.284 - 2.284
R-factor	0.1803
Rwork	0.178
R-free	0.22830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5y2x
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.280	2.300
Rmerge	0.124	0.289
Number of reflections	11723	551
<I/σ(I)>	12.8
Completeness [%]	97.9
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	25% PEG 8K, 0.1 M MES pH 6.5, 0.2 M Na-acetate