4PQJ

Crystal structure of a phosphate binding protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-07-20
Detector	PSI PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	C 2 2 21
Unit cell lengths	67.500, 151.350, 108.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.159 - 1.860
R-factor	0.218
Rwork	0.216
R-free	0.26250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.239
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	62.160	2.170	1.920
High resolution limit [Å]	1.860	2.110	1.860
Rmerge	0.097
Number of reflections	47406
<I/σ(I)>	5.08
Completeness [%]	100.0	100	100
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	25% PEG 3350, 0.1M Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K