3Q60

Crystal structure of virulent allele ROP5B pseudokinase domain bound to ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-20
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.00
Spacegroup name	P 21 21 2
Unit cell lengths	123.358, 69.329, 43.385
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.219 - 1.720
R-factor	0.1804
Rwork	0.179
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.707
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.780
High resolution limit [Å]	1.720	3.710	1.720
Rmerge	0.072	0.053	0.540
Number of reflections	40071
<I/σ(I)>	11.8
Completeness [%]	98.8	99.5	89
Redundancy	13.9	13.6	9.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	20% PEG-3350, 0.3M Sodium malonate, 0.02M MgCl2, 0.01M ATP, pH 5.5, vapor diffusion, hanging drop, temperature 291K