4GMT

Crystal structure of heterosubtypic Fab S139/1

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]	77
Detector technology	CCD
Collection date	2011-08-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0333
Spacegroup name	P 32 1 2
Unit cell lengths	106.840, 106.840, 185.520
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.292 - 2.050
R-factor	0.1595
Rwork	0.158
R-free	0.20910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 3OZ9 AND 1MEX
RMSD bond length	0.008
RMSD bond angle	1.190
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.2_869))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.150
High resolution limit [Å]	2.050	2.050
Rmerge	0.080	0.720
Number of reflections	76062
<I/σ(I)>	16	2.3
Completeness [%]	99.8	99.9
Redundancy	7.4	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	0.1 M sodium citrate, pH 5.5, 2 M ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 298K