7ORX

Rhodococcus jostii RHA1 thiamine diphosphate-dependent 4-hydroxybenzoylformate decarboxylase

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]	100
Detector technology	PIXEL
Collection date	2017-10-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97948
Spacegroup name	P 21 21 21
Unit cell lengths	123.500, 132.240, 138.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	90.423 - 2.600
R-factor	0.1963
Rwork	0.195
R-free	0.23290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qsi
RMSD bond length	0.013
RMSD bond angle	1.803
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	123.500	2.740
High resolution limit [Å]	2.600	2.600
Rmerge	0.154	2.187
Number of reflections	70459	10199
<I/σ(I)>	11.5
Completeness [%]	100.0	100
Redundancy	10	10.2
CC(1/2)	0.997	0.461

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	300	0.16 M ammonium sulfate, 20% PEG8000, 0.1 mM Mes pH 6.5