5Y6B

Crystal structure of ZmASCH Y47F mutant protein from Zymomonas mobilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9794
Spacegroup name	P 1 21 1
Unit cell lengths	53.126, 65.963, 91.857
Unit cell angles	90.00, 90.18, 90.00

Refinement procedure

Resolution	19.842 - 2.000
R-factor	0.2233
Rwork	0.222
R-free	0.25410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5guq 5gus
RMSD bond length	0.009
RMSD bond angle	0.993
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.030
High resolution limit [Å]	2.000	5.390	2.000
Rmerge	0.075	0.052	0.469
Rmeas	0.093	0.064	0.590
Rpim	0.054	0.036	0.353
Total number of observations	116741
Number of reflections	41869	2129	2094
<I/σ(I)>	7.8
Completeness [%]	97.6	96.3	97.4
Redundancy	2.8	2.8	2.6
CC(1/2)		0.995	0.746

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20% (w/v) PEG 3350, 0.1M MES (pH 6.5)