5QUS

HumRadA1 soaked with 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	39.984, 61.648, 86.638
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.319 - 1.247
R-factor	0.1695
Rwork	0.169
R-free	0.18750
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]	43.319	43.319	1.320
High resolution limit [Å]	1.250	3.730	1.250
Rmerge	0.055	0.034	0.236
Rmeas	0.059	0.037	0.260
Total number of observations	397258
Number of reflections	58971	1986	8838
<I/σ(I)>	22.86	43.99	7.41
Completeness [%]	97.6	80.6	91.9
Redundancy	6.736	5.625	5.641
CC(1/2)	0.999	0.998	0.964

Crystallization Conditions

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