8HE6

Crystal structure of a fosfomycin and bleomycin resistant protein (ALL3014) from Anabaena/Nostoc cyanobacterium at 1.70 A resolution

Replaces:  6IPT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	CCD
Collection date	2016-12-21
Detector	MARRESEARCH
Wavelength(s)	1.0718
Spacegroup name	P 4 21 2
Unit cell lengths	109.462, 109.462, 46.668
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.953 - 1.700
Rwork	0.172
R-free	0.21730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6a4x
RMSD bond length	0.010
RMSD bond angle	1.568
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	Auto-Rickshaw
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.410	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.068	0.800
Number of reflections	31802	1753
<I/σ(I)>	17.4	1.8
Completeness [%]	95.0	85
Redundancy	9.1	6
CC(1/2)	0.990	0.620

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	298	0.2M lithium sulphate, 0.1M sodium acetate, 50 % PEG 400