5IBT

UCA Fab (unbound) from 6515 Lineage

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	173.15
Detector technology	CCD
Collection date	2015-05-29
Detector	ADSC QUANTUM 315
Wavelength(s)	0.999960
Spacegroup name	P 21 21 21
Unit cell lengths	51.840, 63.390, 146.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.870 - 2.400
R-factor	0.2085
Rwork	0.205
R-free	0.27750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ibu
RMSD bond length	0.010
RMSD bond angle	1.260
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.870	48.870	2.550
High resolution limit [Å]	2.400	7.140	2.400
Rmerge	0.200	0.036	2.366
Number of reflections	19340
<I/σ(I)>	10.7	36.8	1.06
Completeness [%]	98.8	99.4	94.6
Redundancy	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293.15	0.5 M NaCl, 0.05 M Tris-HCL pH 8.5, 22% PEG 4000 and 20% glycerol as a cryoprotectant