5QUG

HumRadA1.2 soaked with napht-2,3-diol overnight at 1 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	69.044, 72.803, 40.333
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.333 - 1.480
R-factor	0.1687
Rwork	0.167
R-free	0.19890
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]	40.333	40.333	1.570
High resolution limit [Å]	1.480	4.410	1.480
Rmerge	0.104	0.036	0.964
Rmeas	0.113	0.039	1.038
Total number of observations	250580
Number of reflections	34721	1448	5499
<I/σ(I)>	14.21	43.13	2.2
Completeness [%]	99.9	99.8	99.1
Redundancy	7.217	6.642	7.138
CC(1/2)	0.999	0.999	0.736

Crystallization Conditions

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