7WAM

Crystal structure of HaloTag complexed with VL1

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)	0.97960
Spacegroup name	P 43 21 2
Unit cell lengths	63.078, 63.078, 164.112
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.802 - 1.490
R-factor	0.1501
Rwork	0.149
R-free	0.18830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5y2x
RMSD bond length	0.013
RMSD bond angle	1.493
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.520
High resolution limit [Å]	1.490	1.490
Rmerge	0.070	0.799
Number of reflections	54493	2634
<I/σ(I)>	29.1
Completeness [%]	98.7
Redundancy	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.2 M Ammonium sulfate, 0.1 M citric acid pH 5.3, and 1% MPD