6NLU

Circularly permuted Haliangium ochraceum BMC-H

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 63 2 2
Unit cell lengths	73.492, 73.492, 119.590
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.579 - 1.607
R-factor	0.2115
Rwork	0.209
R-free	0.24060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5djb
RMSD bond length	0.010
RMSD bond angle	0.987
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.580	1.690
High resolution limit [Å]	1.607	1.607
Rmerge	0.086	0.448
Rpim	0.021	0.109
Number of reflections	51230	7266
<I/σ(I)>	18.6
Completeness [%]	99.9	99.2
Redundancy	17.8
CC(1/2)	0.999	0.973

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.5 M Ammonium tartrate, 0.1 M sodium acetate pH 5.6