6LPD

Phascolosoma esculenta

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	2017-07-11
Detector	ADSC QUANTUM 315
Wavelength(s)	0.960
Spacegroup name	I 2 2 2
Unit cell lengths	153.005, 153.491, 153.818
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	108.650 - 1.650
R-factor	0.1106
Rwork	0.108
R-free	0.15330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ajo
RMSD bond length	0.031
RMSD bond angle	2.530
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	108.650	1.660
High resolution limit [Å]	1.650	1.650
Number of reflections	215690	10411
<I/σ(I)>	38.3
Completeness [%]	96.4
Redundancy	5.3
CC(1/2)	0.880	0.880

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291.15	0.1 M HEPES pH 7.5, 20% v/v Jeffamine M-600
1	VAPOR DIFFUSION, SITTING DROP	7.5	291.15	0.1 M HEPES pH 7.5, 20% v/v Jeffamine M-600