5QUT

HumRadA1 soaked with 10 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	39.931, 61.678, 86.783
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.268 - 1.248
R-factor	0.1706
Rwork	0.170
R-free	0.19000
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]	31.268	31.268	1.320
High resolution limit [Å]	1.250	3.730	1.250
Rmerge	0.056	0.031	0.347
Rmeas	0.061	0.034	0.383
Total number of observations	405245
Number of reflections	59677	2160	9303
<I/σ(I)>	21.26	45.64	5.49
Completeness [%]	98.9	87.8	96.8
Redundancy	6.791	5.583	5.691
CC(1/2)	0.999	0.998	0.927

Crystallization Conditions

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