6D3V

Chromosomal trehalose-6-phosphate phosphatase from P. aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2018-02-22
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97957
Spacegroup name	P 1 21 1
Unit cell lengths	74.265, 66.820, 75.165
Unit cell angles	90.00, 119.60, 90.00

Refinement procedure

Resolution	24.300 - 1.800
R-factor	0.1896
Rwork	0.188
R-free	0.21780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6cj0
RMSD bond length	0.006
RMSD bond angle	0.843
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.300	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.059	0.348
Rmeas	0.073	0.452
Rpim	0.039	0.237
Number of reflections	59009	8650
<I/σ(I)>	9.4
Completeness [%]	99.4	100
Redundancy	3.5	3.5
CC(1/2)	0.996	0.868

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	289	0.2 M MGCL2, 20% PEG 6000, 0.1 M MES