6WNN

Bacillus subtilis BioA in complex with amino donor L-Lys

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 12.3.1
Synchrotron site	ALS
Beamline	12.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-30
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9795
Spacegroup name	P 1
Unit cell lengths	58.300, 60.540, 62.720
Unit cell angles	96.15, 106.04, 99.23

Refinement procedure

Resolution	59.510 - 2.590
R-factor	0.2367
Rwork	0.232
R-free	0.33270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dod
RMSD bond length	0.012
RMSD bond angle	1.597
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	59.510	59.510	2.650
High resolution limit [Å]	2.590	11.560	2.590
Rmerge	0.110	0.047	0.754
Rmeas	0.134	0.058	0.989
Total number of observations	64122
Number of reflections	23055	261	1304
<I/σ(I)>	7.8	19.67	1.18
Completeness [%]	91.7	93.2	69.5
Redundancy	2.781	2.874	1.884
CC(1/2)	0.991	0.991	0.552

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	0.2 M sodium acetate, 0.1 M Tris-HCl, 30% w/v PEG4000