5MX3

Structure of DC8E8 Fab crystallized at pH 8.5

Replaces:  4OZ4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	CCD
Collection date	2008-08-28
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	41.110, 111.030, 95.860
Unit cell angles	90.00, 90.38, 90.00

Refinement procedure

Resolution	37.870 - 2.980
R-factor	0.2203
Rwork	0.219
R-free	0.25590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4OZ4
RMSD bond length	0.011
RMSD bond angle	1.478
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.870	37.870	3.060
High resolution limit [Å]	2.980	13.330	2.980
Rmerge	0.121	0.023	0.511
Rmeas	0.154	0.029	0.653
Number of reflections	14700	149	1110
<I/σ(I)>	8.26	31.37	1.94
Completeness [%]	83.2	72	85.5
Redundancy	2.376	2.403	2.276
CC(1/2)	0.987	0.999	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	295	30% PEG 4000, 0.1 M Tris, 0.2 M MgCl2