7ZMF

Dehydratase domain of module 3 from Brevibacillus Brevis orphan BGC11

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	72.380, 197.360, 39.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.680 - 2.210
R-factor	0.2251
Rwork	0.224
R-free	0.24630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hqw
RMSD bond length	0.005
RMSD bond angle	0.598
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20rc4_4425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.680	2.260
High resolution limit [Å]	2.210	2.210
Number of reflections	28971	2086
<I/σ(I)>	14.42
Completeness [%]	99.0
Redundancy	13.39
CC(1/2)	0.999	0.670

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 ul drops of 3.9 mg ml-1 protein in buffer( 20 mM Hepes KOH pH 8.0, 250 mM NaCl, 5 % v/v glycerol, 5 mM DTT) with 0.2 ul of reservoir solution (20 % w/v PEG 500 MME; 10% PEG 20000, 0.1 M Tris;BICINE pH 8.5, 0.06 M MgCl hexahydrate, 0.06 M CaCl dihydrate)