4XZ0

ZAP-70-tSH2:compound-A complex

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	2012-02-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000000
Spacegroup name	P 63
Unit cell lengths	103.418, 103.418, 52.817
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.854 - 2.000
R-factor	0.214
Rwork	0.212
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oq1
RMSD bond length	0.004
RMSD bond angle	0.856
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1839))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.500	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.060	0.965
Number of reflections	21977
<I/σ(I)>	16.8	2.2
Completeness [%]	100.0	100
Redundancy	7.7	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	PEG 3350, ammonium sulfate, TCEP