7AE4

Structure of Sedimentibacter hydroxybenzoicus vanillic acid decarboxylase (ShVdcCD) in closed form

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	77
Detector technology	PIXEL
Collection date	2017-09-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.284
Spacegroup name	F 2 2 2
Unit cell lengths	270.920, 320.550, 326.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.050 - 3.310
R-factor	0.1645
Rwork	0.163
R-free	0.19770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5m1c
RMSD bond length	0.004
RMSD bond angle	0.639
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.050	3.428
High resolution limit [Å]	3.310	3.310
Rmerge	0.106	1.554
Rmeas	0.114	1.665
Rpim	0.042	0.594
Number of reflections	104765	10415
<I/σ(I)>	13.95
Completeness [%]	99.9
Redundancy	7.5
CC(1/2)	0.998	0.511

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	294	0.2M Sodium chloride 0.1M Sodium/potassium phosphate (pH6.2) 50% (v/v) PEG 200