5MVJ

Structure of DC8E8 Fab at pH 6.5 crystallized in space-group P1

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
Unit cell lengths	61.220, 82.260, 89.310
Unit cell angles	92.32, 95.47, 89.82

Refinement procedure

Resolution	34.370 - 2.500
R-factor	0.2219
Rwork	0.219
R-free	0.27210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4OZ4
RMSD bond length	0.012
RMSD bond angle	1.616
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]	34.370	34.370	2.560
High resolution limit [Å]	2.500	11.180	2.500
Rmerge	0.082	0.025	0.445
Rmeas	0.113	0.035	0.614
Number of reflections	58019	596	4296
<I/σ(I)>	9.31	24.5	1.96
Completeness [%]	96.7	88.8	96.7
Redundancy	2.067	2.049	2.058
CC(1/2)	0.990	0.997	0.607

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	20% PEG 8000, 0.1 M Na-cacodylate, 0.2 M Mg-acetate