6Q6J

Human phosphoserine phosphatase with substrate analogue homo-cysteic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-09-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97857
Spacegroup name	C 2 2 21
Unit cell lengths	49.230, 130.490, 157.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.943 - 1.985
R-factor	0.2005
Rwork	0.198
R-free	0.24680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6hyy
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.1)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.943	2.056
High resolution limit [Å]	1.985	1.985
Rmerge	0.019	0.233
Rmeas	0.026	0.330
Rpim	0.019	0.233
Number of reflections	35482	3380
<I/σ(I)>	17.4	2.29
Completeness [%]	99.5	96.24
Redundancy	2	2
CC(1/2)	1.000	0.969

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	Sodium cacodylate 0.1M pH6.5; CaCl2 0.3M; PEG 2000 20%; DMSO 4%