6YT0

Magnesium chelatase H subunit (ChlH) E660D variant from Synechocystis sp.PCC6803

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97626
Spacegroup name	H 3
Unit cell lengths	321.787, 321.787, 104.919
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	54.600 - 2.850
R-factor	0.2116
Rwork	0.209
R-free	0.26030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Direct refinement from 6YSG
RMSD bond length	0.008
RMSD bond angle	1.604
Data reduction software	xia2
Data scaling software	xia2
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.600	2.900
High resolution limit [Å]	2.850	2.850
Rpim	0.061	0.544
Number of reflections	94580	4748
<I/σ(I)>	9.4	1.5
Completeness [%]	100.0	100
Redundancy	5.8
CC(1/2)	0.995	0.560

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	290	0.8-1.2 M sodium citrate and 2 mM dithiothreitol