6DD2

Crystal structure of Selaginella moellendorffii HCT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-06
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	79.390, 83.749, 188.855
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.502 - 2.906
R-factor	0.2537
Rwork	0.249
R-free	0.30660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kjs
RMSD bond length	0.005
RMSD bond angle	0.763
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.540	2.960
High resolution limit [Å]	2.810	2.810
Rmerge	0.141	0.620
Rmeas		0.715
Rpim		0.345
Number of reflections	15752	2270
<I/σ(I)>	9	2.4
Completeness [%]	98.3	99.4
Redundancy	3.9	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277.15	10.2 mg/mL SmHCT was used in a 2 uL protein, 1 uL reservoir solution hanging drop setup. The reservoir solution consisted of 0.1 M HEPES:NaOH, 2 M ammonium sulfate at pH 6.5.