5QUO

HumRadA1 soaked with 0.2 mM indazole in 10% DMSO

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9535
Spacegroup name	P 21 21 21
Unit cell lengths	40.097, 61.364, 87.002
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.416 - 1.342
R-factor	0.182
Rwork	0.181
R-free	0.20920
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]	36.416	36.416	1.420
High resolution limit [Å]	1.340	4.000	1.340
Rmerge	0.074	0.029	0.628
Rmeas	0.086	0.035	0.766
Total number of observations	171583
Number of reflections	47627	1790	7041
<I/σ(I)>	14.29	35.87	2.48
Completeness [%]	97.6	89.5	90.8
Redundancy	3.603	3.342	2.691
CC(1/2)	0.997	0.997	0.636

Crystallization Conditions

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