6CZH

Structure of a redesigned beta barrel, mFAP0, bound to DFHBI

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	2018-02-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	48.061, 59.382, 72.836
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.024 - 1.800
R-factor	0.209
Rwork	0.205
R-free	0.24150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.694
Data scaling software	HKL-2000
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.063	0.052	0.434
Rmeas	0.066	0.055	0.458
Rpim	0.019	0.017	0.143
Number of reflections	19723	1110	844
<I/σ(I)>	14.1
Completeness [%]	98.9	99.8	86.9
Redundancy	11.7	10.4	9.2
CC(1/2)		0.998	0.972

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.2 M Sodium chloride, 0.1 M HEPES pH 7.5, 25% PEG3350