6TW9

HumRadA22F in complex with CAM833

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-04-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979490
Spacegroup name	P 21 21 21
Unit cell lengths	40.376, 61.213, 87.678
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.190 - 1.520
R-factor	0.1571
Rwork	0.156
R-free	0.17160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j4l
RMSD bond length	0.011
RMSD bond angle	1.160
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.11.4)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	61.213	61.213	1.522
High resolution limit [Å]	1.517	7.037	1.517
Rmerge	0.087	0.022	0.672
Rmeas	0.098	0.025	0.756
Rpim	0.043	0.011	0.338
Total number of observations	149322
Number of reflections	32571	346	351
<I/σ(I)>	12.5
Completeness [%]	94.6	84.4	97.5
Redundancy	4.6	4.4	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	298	20% PEG8000, 0.08 M Na Cacodylate pH 6.5, 0.16M Ca acetate, 18% glycerol