7VPF

Crystal structure of a novel putative sugar isomerase from the psychrophilic bacterium Paenibacillus sp. R4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	95
Detector technology	CCD
Collection date	2018-11-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97940
Spacegroup name	H 3
Unit cell lengths	141.932, 141.932, 76.701
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.823 - 2.983
R-factor	0.2167
Rwork	0.214
R-free	0.27120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qc0
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	10.000	3.050
High resolution limit [Å]	2.980	7.340	2.980
Rmerge	0.112	0.097	0.375
Rmeas	0.118	0.102	0.394
Rpim	0.036	0.033	0.122
Total number of observations	117028
Number of reflections	11523	639	759
<I/σ(I)>	34.4
Completeness [%]	98.3	81.4	99.7
Redundancy	10.2	10.1	10.1
CC(1/2)		0.989	0.962

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M Sodium Fluoride, 0.1 M Bis-Tris propane (pH 7.5), 20% PEG 3350