7W5U

Acetyl-CoA Carboxylase-AccB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-05-07
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	117.001, 202.390, 204.954
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.740 - 2.340
R-factor	0.2184
Rwork	0.217
R-free	0.23929
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xnv
RMSD bond length	0.009
RMSD bond angle	1.585
Data reduction software	HKL-2000 (2.3.12)
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.740	2.340
High resolution limit [Å]	2.340	2.340
Rmerge	0.105
Rmeas	0.114
Rpim	0.044
Number of reflections	204886	192724
<I/σ(I)>	7.4
Completeness [%]	98.9	99.1
Redundancy	5.9	5.9
CC(1/2)	0.986	0.986

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	SaltRx TM, HR2-909-20,0.8 M Lithium sulfate monohydrate, 0.1 M BIS-TRIS propane. pH 7.0