5QUR

HumRadA1 soaked with 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	40.052, 61.808, 87.033
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.516 - 1.247
R-factor	0.1845
Rwork	0.183
R-free	0.20860
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]	43.516	43.516	1.320
High resolution limit [Å]	1.250	3.730	1.250
Rmerge	0.104	0.037	0.878
Rmeas	0.113	0.041	0.974
Total number of observations	397956
Number of reflections	59987	2280	8931
<I/σ(I)>	12.96	32.19	2.73
Completeness [%]	98.3	91.8	91.9
Redundancy	6.634	5.651	5.287
CC(1/2)	0.998	0.998	0.713

Crystallization Conditions

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