8SBU

Crystal structure of MBP fusion with HPPK from Methanocaldococcus jannaschii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2018-08-18
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	58.170, 69.827, 73.121
Unit cell angles	67.44, 74.63, 78.13

Refinement procedure

Resolution	29.279 - 2.200
R-factor	0.2222
Rwork	0.221
R-free	0.27400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.704
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (v1.16)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.280
High resolution limit [Å]	2.200	4.730	2.200
Rmerge		0.062	1.822
Rmeas		0.071	2.149
Rpim	0.105	0.036	1.131
Number of reflections	51068	5172	5057
<I/σ(I)>	4.9
Completeness [%]	98.5	99.7	97.6
Redundancy	3.9	4	3.5
CC(1/2)		0.997	0.400

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	293	Lithium sulphate, PEG400