5QUH

HumRadA1.2 soaked with napht-2,3-diol overnight at 2 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	69.115, 72.887, 40.438
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.438 - 1.380
R-factor	0.166
Rwork	0.165
R-free	0.19260
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]	40.438	40.438	1.460
High resolution limit [Å]	1.380	4.120	1.380
Rmerge	0.069	0.031	0.746
Rmeas	0.075	0.034	0.856
Total number of observations	280286
Number of reflections	42764	1764	6749
<I/σ(I)>	16.23	47.65	1.75
Completeness [%]	99.8	99.7	98.9
Redundancy	6.554	6.393	4.175
CC(1/2)	0.999	0.999	0.659

Crystallization Conditions

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