5QUP

HumRadA1 soaked with 0.5 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	40.020, 61.663, 86.668
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.334 - 1.250
R-factor	0.1754
Rwork	0.174
R-free	0.19630
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]	43.334	43.334	1.320
High resolution limit [Å]	1.250	3.730	1.250
Rmerge	0.061	0.030	0.449
Rmeas	0.066	0.033	0.493
Total number of observations	406640
Number of reflections	59660	2267	9186
<I/σ(I)>	19.35	49.79	4.09
Completeness [%]	98.9	92.2	95.7
Redundancy	6.816	5.994	5.735
CC(1/2)	0.999	0.999	0.880

Crystallization Conditions

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