4DNK

Crystal structure of a tyrosine 3-monooxygenase/tryptophan 5-monooxygenase activation protein, beta polypeptide (YWHAB) from homo sapiens at 2.20 A resolution.

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-01
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97946,0.97932
Spacegroup name	P 1 21 1
Unit cell lengths	52.144, 122.848, 55.256
Unit cell angles	90.00, 113.98, 90.00

Refinement procedure

Resolution	29.227 - 2.200
R-factor	0.1937
Rwork	0.192
R-free	0.22620
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.173
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	SHELX
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.227	29.227	2.260
High resolution limit [Å]	2.200	9.840	2.200
Rmerge		0.043	0.753
Total number of observations		1240	8349
Number of reflections	31601
<I/σ(I)>	7.4	14.4	1
Completeness [%]	98.1	94.5	97.9
Redundancy	3.6	3.5	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	20.00% polyethylene glycol 3350, 0.20M magnesium acetate, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K