5MXX

Crystal structure of human SR protein kinase 1 (SRPK1) in complex with compound 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-04-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	82.572, 82.572, 133.837
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.290 - 1.750
R-factor	0.17479
Rwork	0.173
R-free	0.20533
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wak 1wbp
RMSD bond length	0.012
RMSD bond angle	1.546
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0107)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.290	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.059	0.826
Rpim	0.023	0.323
Number of reflections	47639	2468
<I/σ(I)>	28.4	3.7
Completeness [%]	99.8	96
Redundancy	14.2	13.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277.15	0.1 M tris pH 7.5, 0.1 M CaCl2, 20% PEG6K, 11% ethylene glycol