6B9S

MPnS crystallized in the absence of substrate

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]	100
Detector technology	PIXEL
Collection date	2014-11-23
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	C 1 2 1
Unit cell lengths	352.382, 53.166, 260.119
Unit cell angles	90.00, 122.34, 90.00

Refinement procedure

Resolution	10.031 - 2.373
R-factor	0.205
Rwork	0.203
R-free	0.24140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.586
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	100.000
High resolution limit [Å]	2.370
Rmeas	0.016
Rpim	0.006
Number of reflections	160320
<I/σ(I)>	11.9
Completeness [%]	96.7
Redundancy	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		297	100 mM tri-ammonium citrate, 100 mM citric acid pH 4.0, 100 mM ammonium chloride, 18% (w/v) PEG 3350, 2 mM iron(II) ammonium sulfate.