5UJ0

Structure of T4Pnkp 3' phosphatase covalently bound to BeF3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	130
Detector technology	PIXEL
Collection date	2014-06-26
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	I 41 2 2
Unit cell lengths	99.790, 99.790, 194.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	88.753 - 2.300
R-factor	0.1867
Rwork	0.184
R-free	0.22890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ltq
RMSD bond length	0.008
RMSD bond angle	1.154
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	88.800	2.370
High resolution limit [Å]	2.290	2.290
Rpim	0.038	0.492
Number of reflections	22056	2043
<I/σ(I)>	16.2	2.3
Completeness [%]	99.5	94.6
Redundancy	12.2	7.3
CC(1/2)	0.999	0.786

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2.2 M (NH4)2SO4 and 0.1 M Tris-HCl (pH=7.5)