5QUL

Structure of unliganded HumRadA1.3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	40.572, 73.055, 69.218
Unit cell angles	90.00, 89.95, 90.00

Refinement procedure

Resolution	36.528 - 1.278
R-factor	0.1985
Rwork	0.197
R-free	0.23080
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]	36.528	36.528	1.360
High resolution limit [Å]	1.280	3.820	1.280
Rmerge	0.071	0.029	0.871
Rmeas	0.083	0.034	1.029
Total number of observations	371035
Number of reflections	102758	3869	16515
<I/σ(I)>	10.53	36.67	1.48
Completeness [%]	98.6	96.6	98.3
Redundancy	3.611	3.572	3.514
CC(1/2)	0.998	0.998	0.632

Crystallization Conditions

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