6P1F

apo PmoF2 PCuAC domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-15
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.377
Spacegroup name	P 41 21 2
Unit cell lengths	51.613, 51.613, 105.512
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.064 - 1.654
R-factor	0.183
Rwork	0.180
R-free	0.20910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6p1e
RMSD bond length	0.011
RMSD bond angle	1.365
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.8.3_1479)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.064	29.064	1.700
High resolution limit [Å]	1.650	7.400	1.650
Rmerge	0.078	0.048	0.744
Rmeas	0.085	0.053	0.809
Total number of observations	220720
Number of reflections	17758	352	2407
<I/σ(I)>	14.99	32.39	3.51
Completeness [%]	99.9	98.3	99.4
Redundancy	6.79	7.077	6.686
CC(1/2)	0.998	0.997	0.806

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	0.1 M sodium acetate, 1.727 M ammonium sulfate