8VCW

X-Ray Crystal Structure of the biotin synthase from B. obeum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0,9793
Spacegroup name	P 21 21 21
Unit cell lengths	38.209, 50.776, 161.878
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.450 - 1.350
R-factor	0.151
Rwork	0.150
R-free	0.17310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	2.763
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.940	1.370
High resolution limit [Å]	1.350	1.350
Rmerge	0.067	0.436
Rmeas	0.076	0.535
Rpim	0.036	0.304
Number of reflections	67982	2523
<I/σ(I)>	12	2.4
Completeness [%]	96.9	75
Redundancy	4.1	2.6
CC(1/2)	0.998	0.741

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	0.4uL protein plus 0.4 uL 100mM Bis-Tri pH 5.5, 25% PEG 3350, 0.2M NaCl equilibrated against a well of 0.5M LiCl