6VTV

Crystal structure of PuuD gamma-glutamyl-gamma-aminobutyrate hydrolase from E. coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2017-09-08
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	69.161, 72.177, 98.631
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.930 - 2.060
R-factor	0.1761
Rwork	0.173
R-free	0.21820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fij
RMSD bond length	0.003
RMSD bond angle	0.538
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.15_3448)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.000	2.100
High resolution limit [Å]	2.060	2.060
Rmerge	0.086	0.533
Rpim	0.037	0.261
Number of reflections	30884	1474
<I/σ(I)>	21.3	2.15
Completeness [%]	98.6	95.5
Redundancy	6.3	4.8
CC(1/2)		0.832

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.2 M calcium chloride, 0.1 M Tris pH 8.5, 25% (w/v) PEG3350, 1 mM manganese chloride