5Y6C

Crystal structure of ZmASCH S128A mutant protein from Zymomonas mobilis

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]	100
Detector technology	CCD
Collection date	2017-06-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97940
Spacegroup name	P 31 2 1
Unit cell lengths	52.149, 52.149, 207.461
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.834 - 2.398
R-factor	0.2088
Rwork	0.206
R-free	0.23540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5guq 5gus
RMSD bond length	0.020
RMSD bond angle	1.660
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	2.440
High resolution limit [Å]	2.400	6.440	2.400
Rmerge	0.073	0.055	0.114
Rmeas	0.077	0.059	0.121
Rpim	0.025	0.021	0.040
Total number of observations	126205
Number of reflections	13604	759	662
<I/σ(I)>	33.6
Completeness [%]	99.8	97.3	99.7
Redundancy	9.3	8.1	9
CC(1/2)		0.995	0.988

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	800mM Sodium phosphate monobasic/1200mM Potassium phosphate dibasic, 100mM Sodium acetate/Acetic acid pH 4.5