6YRA

Crystal structure of ATP-dependent caprolactamase from Pseudomonas jessenii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR-H
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2018-08-30
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	195.377, 167.367, 87.965
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.840 - 4.000
R-factor	0.246
Rwork	0.239
R-free	0.38100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5l9w 5m45 5svb
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.840	4.280
High resolution limit [Å]	4.000	4.000
Rmerge	0.632	1.252
Number of reflections	24725	4389
<I/σ(I)>	2.3
Completeness [%]	98.8	98.7
Redundancy	3.7	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294	0.02 M Na/K phosphate, 0.1 M Bis-Tris propane, pH 7.5, and 20% PEG3350