6CJ0

Chromosomal trehalose-6-phosphate phosphatase from P. aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2017-05-27
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	74.936, 67.004, 75.572
Unit cell angles	90.00, 119.71, 90.00

Refinement procedure

Resolution	24.780 - 1.900
R-factor	0.176
Rwork	0.174
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PARTIAL MODEL OBTAINED BY AB INITIO PHASING OF SE -MET LABELLED PROTEIN BY SAD
RMSD bond length	0.007
RMSD bond angle	0.979
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]	25.000	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.101	0.527
Number of reflections	51243
<I/σ(I)>	10.6	3.6
Completeness [%]	99.8	99.8
Redundancy	7.5	7.5

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, pH 6