5QUQ

HumRadA1 soaked with 1 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	40.027, 61.607, 86.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.305 - 1.249
R-factor	0.1732
Rwork	0.172
R-free	0.19280
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]	31.305	31.305	1.320
High resolution limit [Å]	1.250	3.730	1.250
Rmerge	0.051	0.032	0.269
Rmeas	0.056	0.036	0.296
Total number of observations	405016
Number of reflections	59538	2078	9265
<I/σ(I)>	23.16	46.43	6.59
Completeness [%]	98.7	84.5	96.3
Redundancy	6.803	5.541	5.745
CC(1/2)	0.999	0.998	0.953

Crystallization Conditions

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