6BVG

Crystal structure of bcMalT T280C-E54C crosslinked by divalent mercury

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9787
Spacegroup name	P 21 21 21
Unit cell lengths	65.818, 114.367, 196.987
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.420 - 3.200
R-factor	0.2536
Rwork	0.251
R-free	0.29180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5iws
RMSD bond length	0.003
RMSD bond angle	0.609
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.420	3.310
High resolution limit [Å]	3.200	3.200
Rmerge	0.115	0.750
Rmeas	0.130	0.850
Rpim	0.058	0.384
Number of reflections	24635	2330
<I/σ(I)>	12.16	1.8
Completeness [%]	96.8	93.5
Redundancy	4.5	4.4
CC(1/2)		0.817

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	100 mM Glycine, pH 8.8-9.1, 33-38% PEG 400, 50 mM CoCl2 and 10-20 mM spermine tetrahydrochloride