5YVL

Crystal structure of a cyclase Hpiu5 from Fischerella sp. ATCC 43239

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	2017-11-15
Detector	RAYONIX MX-300
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	62.390, 114.311, 132.439
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.993 - 2.059
R-factor	0.1809
Rwork	0.179
R-free	0.23610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yvk
RMSD bond length	0.014
RMSD bond angle	1.497
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.130
High resolution limit [Å]	2.059	4.430	2.060
Rmerge	0.046	0.018	0.483
Rmeas	0.053	0.020	0.566
Rpim	0.024	0.009	0.288
Number of reflections	56433	6233	5508
<I/σ(I)>	16
Completeness [%]	95.0	99.6	94.1
Redundancy	4.1	4.6	3.6
CC(1/2)		1.000	0.831

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295	0.2M sodium chloride, 20%(w/v) PEG4000