2WJF

Crystal structure of the tyrosine phosphatase Cps4B from Steptococcus pneumoniae TIGR4 in complex with phosphate.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Spacegroup name	P 21 21 21
Unit cell lengths	43.980, 58.700, 115.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.860 - 2.220
R-factor	0.161
Rwork	0.158
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	UNRELEASED STRUCTURE
RMSD bond length	0.007
RMSD bond angle	0.946
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.200	2.200
Rmerge	0.090	0.240
Number of reflections	15250
<I/σ(I)>	14.7	4.4
Completeness [%]	98.8	86.5
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.1 M NA-ACETATE, 35% W/V PEG 400, PH 4.2