3F99

W354F Yersinia enterocolitica PTPase apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	82
Detector technology	IMAGE PLATE
Collection date	2008-03-09
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	54.110, 58.350, 90.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.810 - 1.650
R-factor	0.198
Rwork	0.196
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ypt
RMSD bond length	0.012
RMSD bond angle	1.387
Data reduction software	d*TREK
Data scaling software	d*TREK (9.4SSI)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.810	29.810	1.710
High resolution limit [Å]	1.650	3.550	1.650
Rmerge	0.027	0.017	0.233
Number of reflections	35018
<I/σ(I)>		66.1	3.9
Completeness [%]	99.6	98.7	99
Redundancy	4.2	4.29	3.19

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	Drop: 2uL of protein solution: 20mg/mL in (100mM Sodium acetate, 100mM NaCl, 1mM EDTA, 1mM DTT, pH 5.7) and 3uL of precipitant solution (12-19% PEG 3350, 0.1M Hepes pH 7.5). Well: 1000uL of precipitant solution, VAPOR DIFFUSION, HANGING DROP, temperature 298K