7V0F

Structure of 6-carboxy-5,6,7,8-tetrahydropterin synthase paralog QueD2 from Acinetobacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2020-07-09
Detector	RDI CMOS_8M
Wavelength(s)	1.00003,1.27819
Spacegroup name	I 4
Unit cell lengths	84.060, 84.060, 122.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.640 - 2.350
R-factor	0.2394
Rwork	0.237
R-free	0.27400
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.101
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.640	2.390
High resolution limit [Å]	2.350	2.350
Rmeas	0.102	1.598
Rpim	0.038	0.598
Number of reflections	17654	898
<I/σ(I)>	15.1	1.3
Completeness [%]	99.7	100
Redundancy	7.3	7.1
CC(1/2)	0.999	0.750

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	Bis-Tris 0.1 M pH 6.5, 0.2 M NaF and 18-20% PEG 3350