7JMV

Crystal structure of the pea pathogenicity protein 2 from Madurella mycetomatis complexed with 4-nitrocatechol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97934
Spacegroup name	P 3 2 1
Unit cell lengths	98.740, 98.740, 62.287
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.760 - 1.570
R-factor	0.1772
Rwork	0.177
R-free	0.19070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7jmr
RMSD bond length	0.010
RMSD bond angle	1.038
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.760	1.600
High resolution limit [Å]	1.570	1.570
Number of reflections	49087	3019
<I/σ(I)>	41.4
Completeness [%]	99.9
Redundancy	9.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	15 % PEG 3350, 0.2 M Calcium Chloride, 0.1 M MES