6HZU

HUMAN JAK1 IN COMPLEX WITH LASW1393

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-07-13
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.00000
Spacegroup name	P 1 21 1
Unit cell lengths	42.794, 173.763, 44.864
Unit cell angles	90.00, 94.24, 90.00

Refinement procedure

Resolution	87.040 - 2.200
R-factor	0.20359
Rwork	0.201
R-free	0.26545
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.271
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC (5.5.0109)
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	87.040	2.370
High resolution limit [Å]	2.200	2.200
Rmerge		0.446
Rmeas	0.100
Number of reflections	32613
<I/σ(I)>	14
Completeness [%]	98.7	98.4
Redundancy	4.2	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	30 % PEG6000_50 0.10 M MES pH 6.00