5QUD

HumRadA1.2 soaked with napht-2,3-diol for 5 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	68.988, 72.852, 40.314
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.426 - 1.300
R-factor	0.1655
Rwork	0.164
R-free	0.19340
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]	36.426	36.426	1.380
High resolution limit [Å]	1.300	3.880	1.300
Rmerge	0.064	0.032	0.786
Rmeas	0.070	0.035	0.922
Total number of observations	276648
Number of reflections	43006	2070	3380
<I/σ(I)>	17.63	45.62	1.61
Completeness [%]	84.7	99.3	41.9
Redundancy	6.433	6.564	3.543
CC(1/2)	0.999	0.999	0.586

Crystallization Conditions

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