7C1R

Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant H140A/R148A in complex with C8-CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-09
Detector	PSI PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	52.767, 72.091, 108.275
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.046 - 1.698
R-factor	0.188
Rwork	0.186
R-free	0.22910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c1h
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.14)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.730
High resolution limit [Å]	1.698	4.610	1.700
Rmerge	0.056	0.025	0.866
Rmeas	0.058	0.026	0.909
Rpim	0.016	0.007	0.268
Number of reflections	46330	2540	2258
<I/σ(I)>	6.9
Completeness [%]	99.8	100	99
Redundancy	12.5	12.3	10.8
CC(1/2)		1.000	0.873

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	289	BIS-TRIS propane, PEG 6000