6NER

Synthetic Haliangium ochraceum BMC shell

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 21 3
Unit cell lengths	325.513, 325.513, 325.513
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.640 - 3.590
R-factor	0.1713
Rwork	0.171
R-free	0.21020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5djb
RMSD bond length	0.001
RMSD bond angle	0.344
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER (2.8.1)
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.640	3.650
High resolution limit [Å]	3.590	3.590
Rmerge	0.581	4.073
Number of reflections	133312	6556
<I/σ(I)>	8.7	1.5
Completeness [%]	100.0	99.9
Redundancy	40.4	38.8
CC(1/2)	0.938	0.808

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.1 M HEPES pH 8.0, 2% tryptone [w/v], 14% [w/v] PEG 3,350