6L0S

Crystal Structure of the O-Phosphoserine Sulfhydrylase from Aeropyrum pernix Complexed with L-Cysteine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-15
Detector	Bruker DIP-6040
Wavelength(s)	0.9
Spacegroup name	P 43
Unit cell lengths	74.380, 74.380, 275.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.380 - 1.960
R-factor	0.1386
Rwork	0.138
R-free	0.14420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5b3a
RMSD bond length	0.012
RMSD bond angle	1.727
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.380	2.060
High resolution limit [Å]	1.960	1.960
Rmerge	0.185	0.842
Number of reflections	106771	15593
<I/σ(I)>	6.7	2.4
Completeness [%]	100.0
Redundancy	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296	0.1M sodium N-2-hydroxyethylpiperazine-N'-2-ethanesulfonate buffer, pH 8.2 (7.9), 29%(v/v) 2-propanol, 13% (11%) (v/v) polyethylene glycol 4,000, and 11mM TCEP-HCl