8HGW

Crystal structure of MehpH in complex with MBP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CAMD BEAMLINE GCPCC
Synchrotron site	CAMD
Beamline	GCPCC
Temperature [K]	100
Detector technology	CCD
Collection date	2022-10-01
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97914
Spacegroup name	I 1 2 1
Unit cell lengths	76.950, 48.950, 306.325
Unit cell angles	90.00, 93.73, 90.00

Refinement procedure

Resolution	44.122 - 2.800
R-factor	0.229228396146
Rwork	0.228
R-free	0.25957
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold2
RMSD bond length	0.005
RMSD bond angle	0.998
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.380	2.970
High resolution limit [Å]	2.800	2.800
Number of reflections	32749	28590
<I/σ(I)>	8.2
Completeness [%]	99.9
Redundancy	6.4
CC(1/2)	0.950	0.826

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	100 mM Bis-Tris, pH 6.2, 22% (w/v) PEG 3350 and 250 mM MgCl2.6H2O