6QWD

Crystal structure of KPC-3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-04
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.78
Spacegroup name	P 21 21 2
Unit cell lengths	60.006, 78.624, 56.008
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.177 - 1.200
R-factor	0.1437
Rwork	0.143
R-free	0.15790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ul8
RMSD bond length	0.007
RMSD bond angle	1.007
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.880	1.220
High resolution limit [Å]	1.200	1.200
Rpim	0.047	0.566
Number of reflections	83425	4118
<I/σ(I)>	10.8	2
Completeness [%]	100.0
Redundancy	12.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294.15	2.0 M Ammonium sulphate, 5% ethanol