6SXL

Crystal structure of CrtE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-25
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	70.203, 89.470, 107.322
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	68.820 - 2.500
R-factor	0.24589
Rwork	0.243
R-free	0.30570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5e8h
RMSD bond length	0.006
RMSD bond angle	1.515
Data reduction software	xia2
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.816	2.589
High resolution limit [Å]	2.500	2.500
Rmerge	0.031	0.447
Rmeas	0.044	0.633
Rpim	0.312	0.447
Number of reflections	24024	2358
<I/σ(I)>	11.72
Completeness [%]	100.0
Redundancy	1.99
CC(1/2)	0.999	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2 M ammonium acetate, 0.1 M sodium acetate (pH 4.6) and 30 % w/v PEG 4000