4P9M

Crystal structure of 8ANC195 Fab

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]	100
Detector technology	CCD
Collection date	2012-10-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.00
Spacegroup name	P 41 21 2
Unit cell lengths	66.482, 66.482, 219.034
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.530 - 2.130
R-factor	0.212
Rwork	0.211
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3u7w
RMSD bond length	0.010
RMSD bond angle	1.296
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.534
High resolution limit [Å]	1.980	6.270	2.090
Rmerge	0.112
Rmeas	0.142
Rpim	0.049
Number of reflections	28097
<I/σ(I)>	11.9
Completeness [%]	98.9	99.1	100
Redundancy	8.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	298	PEG 6000, HEPES, zinc chloride