5DOL

Crystal structure of YabA amino-terminal domain from Bacillus subtilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2012-12-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.93222
Spacegroup name	P 32 2 1
Unit cell lengths	83.480, 83.480, 64.710
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.100 - 2.700
R-factor	0.227
Rwork	0.222
R-free	0.27010
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.616
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.100	41.516	2.800
High resolution limit [Å]	2.700	10.000	2.700
Rmerge	0.073	0.025	2.626
Rmeas	0.079	0.029	2.832
Rpim	0.036	0.018	0.309
Total number of observations	51889	1428	6834
Number of reflections	7306	84	752
<I/σ(I)>	17.98	42.5	2.6
Completeness [%]	98.5	47.7	99.9
Redundancy	21.2	15.2	23

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	20% PEG 3350 (W/V), 100 mM Bis-Tris propane pH 6.5, 200 mM potassium thiocyanate