6W1G

Crystal structure of the hydroxyglutarate synthase from Pseudomonas putida

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	42.449, 100.746, 104.765
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.380 - 1.140
R-factor	0.1435
Rwork	0.142
R-free	0.16600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rjb
RMSD bond length	0.012
RMSD bond angle	1.225
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.380	1.180
High resolution limit [Å]	1.140	1.140
Number of reflections	164046	16167
<I/σ(I)>	12.3
Completeness [%]	99.9
Redundancy	6.8
CC(1/2)	0.999	0.666

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.2 M Ammonium Fluoride, 20 % PEG 3,350