4QOS

CRYSTAL STRUCTURE OF PSPF(1-265) E108Q MUTANT bound to ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-08-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9794
Spacegroup name	P 65
Unit cell lengths	113.385, 113.385, 39.326
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.350 - 1.420
R-factor	0.17
Rwork	0.170
R-free	0.19000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bjw
RMSD bond length	0.009
RMSD bond angle	1.340
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1702))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.350	28.350	1.460
High resolution limit [Å]	1.420	6.350	1.420
Rmerge	0.040
Number of reflections	54854
<I/σ(I)>	28.76
Completeness [%]	100.0	99	99.5
Redundancy	9.8	9.7	9.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	292	100mM Bis-Tris pH 8.0, 12-16% MPD, 2M Ammonium formate, VAPOR DIFFUSION, SITTING DROP, temperature 292K