5DQJ

Structure of unliganded S55-5 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-01
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9794
Spacegroup name	P 1 21 1
Unit cell lengths	53.607, 139.872, 72.076
Unit cell angles	90.00, 110.66, 90.00

Refinement procedure

Resolution	25.000 - 2.610
R-factor	0.1949
Rwork	0.193
R-free	0.22810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dqd
RMSD bond length	0.010
RMSD bond angle	1.356
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.5.2)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.690
High resolution limit [Å]	2.600	5.580	2.600
Rmerge	0.060	0.029	0.619
Rmeas	0.071	0.033	0.721
Rpim	0.037	0.017	0.367
Total number of observations	111916
Number of reflections	30002
<I/σ(I)>	17
Completeness [%]	99.2	99.2	100
Redundancy	3.7	3.7	3.8
CC(1/2)		0.998	0.823

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289.15	5% (w/v) glycerol and 15% (w/v) PEG 6000