6ZBS

Beta ODAP Synthetase (BOS)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2020-06-07
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	66.200, 66.200, 226.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.810 - 2.350
R-factor	0.2089
Rwork	0.206
R-free	0.25940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ke4
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.810	2.434
High resolution limit [Å]	2.350	2.350
Rmerge	0.100	0.688
Rpim	0.165	0.272
Number of reflections	21933	2130
<I/σ(I)>	49.73	5.75
Completeness [%]	98.8	99.77
Redundancy	19.3
CC(1/2)	0.750	0.824

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	292	0.1M MgCl2 0.05M HEPES pH=7 10% PEG 6000