6W1H

Crystal structure of the hydroxyglutarate synthase in complex with 2-oxoadipate from Pseudomonas putida

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2018-09-16
Detector	ADSC QUANTUM 315
Wavelength(s)	0.99999
Spacegroup name	P 21 21 21
Unit cell lengths	42.442, 100.284, 103.577
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.050 - 1.420
R-factor	0.159
Rwork	0.157
R-free	0.19370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rjb
RMSD bond length	0.008
RMSD bond angle	0.870
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]	72.050	1.470
High resolution limit [Å]	1.420	1.420
Number of reflections	593341	56327
<I/σ(I)>	16.3
Completeness [%]	99.8
Redundancy	7
CC(1/2)	0.999	0.730

Crystallization Conditions

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