9EB7

Crystal Structure of Biotin Carboxylase from Ankistrodesmus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-04
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97950
Spacegroup name	P 21 21 21
Unit cell lengths	56.453, 105.698, 175.496
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.180 - 1.750
R-factor	0.1825
Rwork	0.181
R-free	0.21570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.931
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.850	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.129	2.518
Rmeas	0.134	2.615
Rpim	0.036	0.702
Total number of observations	1435859	72061
Number of reflections	106783	5224
<I/σ(I)>	11.2	1
Completeness [%]	100.0
Redundancy	13.4	13.8
CC(1/2)	0.999	0.518

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1 M BES - triethanolamine (TEA) buffer, pH 7.5, 36% v/v precipitant mix 5 (30% w/v PEG3000, 40% v/v 1,2,4-butanetriol, 2% w/v NDSB 256), 0.005 M yttrium(III) chloride hexahydrate, 0.005 M erbium(III) chloride hexahydrate, 0.005 M terbium(III) chloride hexahydrate, 0.005 M ytterbium(III) chloride hexahydrate