7RJF

MOPD-1 mutant-L47W

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-07
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97625
Spacegroup name	P 41 21 2
Unit cell lengths	41.377, 41.377, 127.399
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.350 - 1.800
R-factor	0.2366
Rwork	0.232
R-free	0.27670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5JG9 (scaffold)
RMSD bond length	0.012
RMSD bond angle	1.134
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.470	1.840
High resolution limit [Å]	1.800	1.800
Rmerge		0.231
Number of reflections	10906	1010
<I/σ(I)>	19.55
Completeness [%]	99.5
Redundancy	2
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	200 nL 5 mg/mL peptide + 200 nL 0.1 M zinc chloride, 8% v/v Tacsimate, pH 6.0, 16% w/v PEG3350