7X5J

ACP-dependent oxoacyl reductase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.978
Spacegroup name	C 2 2 21
Unit cell lengths	107.623, 224.972, 152.371
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	97.275 - 2.100
Rwork	0.200
R-free	0.24690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3osu
RMSD bond length	0.008
RMSD bond angle	1.517
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	152.370	152.370	2.140
High resolution limit [Å]	2.100	11.500	2.100
Rmerge	0.212	0.129	1.757
Rmeas	0.229	0.138	1.896
Rpim	0.086	0.050	0.706
Number of reflections	105199	105218	105218
<I/σ(I)>	7.1
Completeness [%]	97.9
Redundancy	13.4	12.6	13.8
CC(1/2)	0.990	0.985	0.699

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	20%(v/v) Butanediol, 0.1 M Sodium acetate pH 4.5