7ZNP

Structure of AmedSP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-04
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	C 2 2 2
Unit cell lengths	132.456, 143.558, 72.797
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.200 - 2.150
R-factor	0.1866
Rwork	0.185
R-free	0.22890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r7a
RMSD bond length	0.004
RMSD bond angle	0.614
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.200	2.227
High resolution limit [Å]	2.150	2.150
Rmerge	0.146
Rmeas	0.152
Rpim	0.041
Number of reflections	72691	3658
<I/σ(I)>	11.14
Completeness [%]	99.6	97.6
Redundancy	13.7	11.8
CC(1/2)	0.998	0.313

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	294	60 % v/v T-mate pH 7.0