5W6C

UCA Fab (unbound) from 6649 Lineage

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	293.15
Detector technology	CCD
Collection date	2016-10-14
Detector	ADSC QUANTUM 315
Wavelength(s)	0.999919
Spacegroup name	P 21 21 21
Unit cell lengths	63.640, 66.920, 100.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.116 - 1.634
R-factor	0.1781
Rwork	0.177
R-free	0.20140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h42
RMSD bond length	0.006
RMSD bond angle	0.947
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.116	46.116	1.730
High resolution limit [Å]	1.630	4.880	1.630
Rmerge	0.048	0.021	0.509
Rmeas	0.052	0.023	0.595
Total number of observations	347776
Number of reflections	52465	2187	7093
<I/σ(I)>	27.48	65.46	3.03
Completeness [%]	97.0	99.8	81.5
Redundancy	6.629	6.775	3.263
CC(1/2)	0.999	1.000	0.848

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293.15	26% PEG2000 MME, 150 mM ammonium sulfate, 100 mM sodium acetate, pH 4.6