5MHE

Crystal structure of anti-T4 Fab fragment with T4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-10-01
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	131.730, 55.330, 61.160
Unit cell angles	90.00, 97.77, 90.00

Refinement procedure

Resolution	19.835 - 1.900
R-factor	0.1808
Rwork	0.178
R-free	0.22650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dqd
RMSD bond length	0.010
RMSD bond angle	1.091
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.950
High resolution limit [Å]	1.900	1.900
Rmerge	0.085	0.754
Rmeas	0.119	1.050
Number of reflections	63198
<I/σ(I)>	7.66	1.49
Completeness [%]	93.6	91.9
Redundancy	1.6	0.65
CC(1/2)	0.990	0.600

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	293	0.1 M ammonium sulphate, 25% PEG 3350, 0.1 M Hepes