4AS3

Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Orthorhombic form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-05
Detector	ADSC QUANTUM 315r
Spacegroup name	P 21 21 2
Unit cell lengths	165.343, 69.591, 119.569
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	119.600 - 2.400
R-factor	0.18093
Rwork	0.177
R-free	0.24947
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4as2
RMSD bond length	0.014
RMSD bond angle	1.770
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.050	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.070	0.440
Number of reflections	54739
<I/σ(I)>	20.7	4.9
Completeness [%]	100.0	100
Redundancy	8.4	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				1UL PROTEIN SOLUTION (10 MG ML-1) WAS MIXED WITH 2UL PRECIPITANT SOLUTION (0.1 M BIS-TRIS PH 5.5, 0.2 M MGCL2, 25% PEG 3350)