5IBU

6652 Fab (unbound)

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	2013-09-26
Detector	ADSC QUANTUM 315
Wavelength(s)	0.999973
Spacegroup name	P 1 21 1
Unit cell lengths	48.630, 89.570, 117.750
Unit cell angles	90.00, 93.73, 90.00

Refinement procedure

Resolution	44.780 - 1.710
R-factor	0.212
Rwork	0.210
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hp0 4fql
RMSD bond length	0.010
RMSD bond angle	1.090
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER-TNT (2.10.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.780	44.780	1.810
High resolution limit [Å]	1.710	5.090	1.710
Rmerge	0.112	0.023	1.138
Number of reflections	103494
<I/σ(I)>	11.88	40.89	1.02
Completeness [%]	95.1	96.6	74.7
Redundancy	3.1
CC(1/2)	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293.15	0.1 M NaCitrate pH 5.6, 20% PEG 4K, 20% Isopropanol and 10% glycerol as a cryoprotectant