5YPT

Crystal structure of Marchantia paleacea chalone synthase like 1 (CHSL1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-09-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	128.183, 74.581, 262.155
Unit cell angles	90.00, 104.04, 90.00

Refinement procedure

Resolution	48.247 - 2.394
R-factor	0.1967
Rwork	0.194
R-free	0.24830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2p0u
RMSD bond length	0.009
RMSD bond angle	1.263
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.394	2.394
Rmerge	0.097	0.441
Number of reflections	93629
<I/σ(I)>	13.7	2.9
Completeness [%]	98.9	92.4
Redundancy	3.6	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	25% (w/v) PEG 3350, 0.2 M ammonium sulfate, 0.1 M BIS-TRIS buffer pH 6.5