6A98

Crystal structure of a cyclase from Fischerella sp. TAU

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-05-19
Detector	RAYONIX MX-300
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	39.442, 53.340, 95.162
Unit cell angles	104.54, 91.39, 92.91

Refinement procedure

Resolution	24.960 - 1.820
R-factor	0.16688
Rwork	0.165
R-free	0.20108
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yvk
RMSD bond length	0.010
RMSD bond angle	1.549
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	1.940
High resolution limit [Å]	1.820	4.020	1.820
Rmerge	0.045	0.025	0.251
Rmeas	0.053	0.029	0.297
Rpim	0.028	0.015	0.157
Total number of observations	215791
Number of reflections	64099	6109	5874
<I/σ(I)>	18.1
Completeness [%]	97.4	99	95.4
Redundancy	3.6	3.6	3.5
CC(1/2)		0.999	0.964

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295	1.0M sodium citrate, 0.1M Imidazole pH 8.0