9BWU

Glutarate L-2-hydroxylase (CsiD/GlaH) from Escherichia coli at 2.20 Angstroms Resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2022-02-19
Detector	RAYONIX MX-300
Wavelength(s)	0.97856
Spacegroup name	I 4 2 2
Unit cell lengths	123.830, 123.830, 139.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.915 - 2.200
Rwork	0.190
R-free	0.22580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.979
Data reduction software	DIALS (3.17.0)
Data scaling software	Aimless (0.7.15)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.920	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.109	0.328
Rmeas	0.127	0.382
Rpim	0.064	0.196
Number of reflections	26092	1705
<I/σ(I)>	11.3	5
Completeness [%]	94.0	71.8
Redundancy	7.2	7.3
CC(1/2)	0.995	0.934

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.2 M Potassium citrate tribasic monohydrate, 20 % w/v PEG 3350