9CM8

UDP-GlcNAc 2-epimerase MnaA of Paenibacillus alvei

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-29
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	45.816, 81.763, 107.722
Unit cell angles	90.00, 97.14, 90.00

Refinement procedure

Resolution	50.000 - 2.200
R-factor	0.2125
Rwork	0.210
R-free	0.26327
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.662
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.280
High resolution limit [Å]	2.200	4.740	2.200
Rmerge	0.057	0.035	0.211
Rmeas	0.065	0.040	0.251
Rpim	0.031	0.019	0.133
Total number of observations	160170
Number of reflections	39705	4084	3662
<I/σ(I)>	17.5
Completeness [%]	99.0	99.2	91.4
Redundancy	4	4.1	3
CC(1/2)	0.998	0.999	0.957

Crystallization Conditions

crystal ID	method	pH	temperature	details
1