5QUI

HumRadA1.2 soaked with napht-2,3-diol overnight at 5 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	69.030, 72.834, 40.356
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.356 - 1.400
R-factor	0.1693
Rwork	0.168
R-free	0.20150
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]	40.356	40.356	1.480
High resolution limit [Å]	1.400	4.180	1.400
Rmerge	0.092	0.035	1.005
Rmeas	0.100	0.037	1.119
Total number of observations	282665
Number of reflections	40811	1690	6365
<I/σ(I)>	13.93	44.39	1.54
Completeness [%]	99.6	99.8	97.4
Redundancy	6.926	6.726	5.23
CC(1/2)	0.999	0.999	0.554

Crystallization Conditions

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