5FW9

Human Spectrin SH3 domain D48G, E7Y, K60Y

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 21
Unit cell lengths	33.234, 42.005, 50.336
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.250 - 1.550
R-factor	0.2052
Rwork	0.203
R-free	0.24891
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bk2
RMSD bond length	0.030
RMSD bond angle	2.406
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall
Low resolution limit [Å]	42.010
High resolution limit [Å]	1.550
Rmerge	0.040
Number of reflections	10702
<I/σ(I)>	13.5
Completeness [%]	99.3
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1