5ES4

RE-REFINEMENT OF INTEGRIN ALPHAXBETA2 ECTODOMAIN IN THE CLOSED/BENT CONFORMATION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2006-12-01
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97926
Spacegroup name	P 21 21 21
Unit cell lengths	132.030, 163.480, 536.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.510 - 3.300
R-factor	0.258
Rwork	0.257
R-free	0.30700
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.183
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	3.150	3.150
Rmerge	0.205
Number of reflections	198644
<I/σ(I)>	9.46
Completeness [%]	98.6
Redundancy	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.55M TRI-SODIUM CITRATE, 0.1M IMIDAZOLE, PH 6.5, EVAPORATION, TEMPERATURE 277K