4AS2

Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Monoclinic form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-25
Detector	MARRESEARCH SX-165
Spacegroup name	C 1 2 1
Unit cell lengths	136.006, 156.633, 71.816
Unit cell angles	90.00, 118.03, 90.00

Refinement procedure

Resolution	95.290 - 2.120
R-factor	0.15715
Rwork	0.154
R-free	0.21007
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.019
RMSD bond angle	2.005
Data reduction software	XDS
Data scaling software	SCALE
Phasing software	SHELX
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	95.290	2.230
High resolution limit [Å]	2.120	2.120
Rmerge	0.150	0.810
Number of reflections	74828
<I/σ(I)>	13.6	2.9
Completeness [%]	99.5	99.9
Redundancy	6.8	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH			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) MICROBATCH