7C1S

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

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	2019-12-31
Detector	PSI PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	52.828, 72.386, 108.582
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.115 - 2.586
R-factor	0.2013
Rwork	0.196
R-free	0.25240
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	2.620
High resolution limit [Å]	2.580	7.000	2.580
Rmerge	0.152	0.063	0.762
Rmeas	0.158	0.066	0.798
Rpim	0.044	0.019	0.235
Total number of observations	172673
Number of reflections	13590	769	678
<I/σ(I)>	4.6
Completeness [%]	99.9	99.6	100
Redundancy	12.7	11.2	11.3
CC(1/2)		0.998	0.875

Crystallization Conditions

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