3RQF

Cerebral cavernous malformation 3 (CCM3) in complex with paxillin LD2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	90
Detector technology	CCD
Collection date	2010-07-01
Detector	ADSC QUANTUM 270
Wavelength(s)	1.078
Spacegroup name	P 21 21 21
Unit cell lengths	62.862, 115.469, 124.379
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.520 - 2.700
R-factor	0.2399
Rwork	0.237
R-free	0.29100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3l8i
RMSD bond length	0.006
RMSD bond angle	0.897
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.111	0.820
<I/σ(I)>	18.4	2.263
Completeness [%]	100.0	100
Redundancy	8.2	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.1-0.2 M potassium fluoride,15-20% PEG3350, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K