6JOX

triosephosphate isomerase-scylla paramamosain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	190
Detector technology	CCD
Collection date	2018-10-22
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 3 2 1
Unit cell lengths	154.712, 154.712, 52.713
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.662 - 1.803
R-factor	0.1562
Rwork	0.155
R-free	0.17910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5eyw
RMSD bond length	0.006
RMSD bond angle	0.773
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (5eyw)
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.830
High resolution limit [Å]	1.800	1.800
Rmeas	0.110
Rpim	0.035	0.340
Number of reflections	66802	3313
<I/σ(I)>	20.01
Completeness [%]	100.0	100
Redundancy	9.9	8.8
CC(1/2)		0.827

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	298	22% PEG6000, 0.1M Citric Acid pH 4.6