6D3W

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	74.030, 66.847, 75.263
Unit cell angles	90.00, 119.48, 90.00

Refinement procedure

Resolution	24.200 - 1.900
R-factor	0.1777
Rwork	0.176
R-free	0.21930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6cj0
RMSD bond length	0.007
RMSD bond angle	0.837
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]	24.250	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.076	0.527
Rmeas	0.096	0.698
Rpim	0.044	0.323
Number of reflections	50404	7303
<I/σ(I)>	9.7	2.7
Completeness [%]	99.7	99.8
Redundancy	4.5	4.5
CC(1/2)	0.997	0.801

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