7AVM

Crystal Structure of Pro-Rhodesain C150A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR-H
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2018-07-11
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.5417
Spacegroup name	H 3
Unit cell lengths	123.190, 123.190, 53.910
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.920 - 2.800
R-factor	0.2556
Rwork	0.254
R-free	0.26180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ex8
RMSD bond length	0.010
RMSD bond angle	1.599
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.16_3549)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.920	2.900
High resolution limit [Å]	2.800	2.800
Number of reflections	7512	729
<I/σ(I)>	214.7
Completeness [%]	97.2	92.73
Redundancy	20.6
CC(1/2)	0.919	0.905

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.5	300	40 mM sodium citrate, 30% PEG-6000, Lead(II) acetate (saturated),cryoprotection with glycerol 10%