5QUE

HumRadA1.2 soaked with napht-2,3-diol for 10 minutes at 20 mM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-16
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9794
Spacegroup name	P 21 21 2
Unit cell lengths	69.029, 72.846, 40.281
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.281 - 1.300
R-factor	0.1671
Rwork	0.166
R-free	0.19230
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.281	40.281	1.380
High resolution limit [Å]	1.300	3.880	1.300
Rmerge	0.065	0.035	0.766
Rmeas	0.070	0.038	0.881
Total number of observations	305504
Number of reflections	46392	2059	4938
<I/σ(I)>	16.35	42.6	1.72
Completeness [%]	91.3	98.7	61.1
Redundancy	6.585	6.542	4.062
CC(1/2)	0.999	0.999	0.605

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	50 mM Na/K phospate, 5% PEG1000H