8VDW

X-Ray Crystal Structure of the biotin synthase from V. parvula

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	47.465, 70.218, 195.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.600 - 1.807
R-factor	0.18022
Rwork	0.179
R-free	0.22689
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	2.432
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.600	1.850
High resolution limit [Å]	1.807	1.810
Rmerge	0.094	0.757
Rmeas	0.102	0.827
Rpim	0.039	0.328
Total number of observations		26113
Number of reflections	60902	4262
<I/σ(I)>	12.6	2
Completeness [%]	99.7
Redundancy	6.7	6.1
CC(1/2)	0.999	0.855

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	0.1M Bis-Tris pH 5.5, 0.2M NH4OAc, 25% PEG 3350