7ZMC

Ketosynthase domain of module 4 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	2019-10-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	73.560, 191.790, 293.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.970 - 3.100
R-factor	0.2642
Rwork	0.263
R-free	0.28850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4z37
RMSD bond length	0.003
RMSD bond angle	0.674
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.970	3.280
High resolution limit [Å]	3.100	3.100
Number of reflections	38108	3437
<I/σ(I)>	8.44
Completeness [%]	99.5	99.8
Redundancy	13.61	0.53
CC(1/2)	0.999	0.419

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 ul drops of 4 mg ml-1 protein in buffer (20 mM Hepes KOH pH 8.0, 250 mM NaCl, 5 % v/v glycerol, 5 mM DTT) supplemented by 10 mM MgSO4 with 0.15 ul of reservoir solution (0.2 M (NH4)2SO4, 0.1 M Na3 citrate pH 5.22, 8 % w/v PEG 3350)