7BZE

Structure of Bacillus subtilis HxlR, K13A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-04-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 2
Unit cell lengths	60.797, 70.073, 28.293
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.356 - 1.658
R-factor	0.2057
Rwork	0.204
R-free	0.21960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4a5n
RMSD bond length	0.014
RMSD bond angle	1.332
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.690
High resolution limit [Å]	1.658	1.660
Rmerge	0.063	0.882
Number of reflections	14784	715
<I/σ(I)>	30.4	2.1
Completeness [%]	98.8	98.9
Redundancy	6.2	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M DL-Malic acid pH 7.0, 20% w/v PEG 3350