6TW3

HumRadA2 in complex with Naphthyl-HPA fragment-peptide chimera

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	2009-05-14
Detector	ADSC QUANTUM 315
Wavelength(s)	0.970200
Spacegroup name	P 21 21 21
Unit cell lengths	40.526, 61.949, 87.724
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.632 - 1.352
R-factor	0.1881
Rwork	0.187
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4b32
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]	31.632	31.632	1.430
High resolution limit [Å]	1.350	4.030	1.350
Rmerge	0.080	0.041	0.636
Rmeas	0.087	0.045	0.698
Total number of observations	325400
Number of reflections	48841	2001	7575
<I/σ(I)>	13.75	33.88	2.17
Completeness [%]	99.5	99	96.9
Redundancy	6.662	6.213	5.884
CC(1/2)	0.998	0.998	0.769

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	100 mM Na/K phosphate, 6 % PEG1000