6MGT

Crystal structure of alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde Decarboxylase Mutant H110A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97946
Spacegroup name	P 42 21 2
Unit cell lengths	90.934, 90.934, 170.107
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.058 - 2.770
R-factor	0.202
Rwork	0.196
R-free	0.25810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hbv
RMSD bond length	0.009
RMSD bond angle	1.119
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	PHENIX (1.10.1)
Refinement software	PHENIX ((1.11.1_2575))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.820
High resolution limit [Å]	2.770	7.510	2.770
Rmerge	0.114	0.059	0.908
Rmeas	0.128	0.067	1.016
Rpim	0.055	0.029	0.444
Number of reflections	17420	920	867
<I/σ(I)>	5
Completeness [%]	92.0	84.6	94.5
Redundancy	5	4.6	5.1
CC(1/2)		0.995	0.527

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	8% (v/v) TacsimateTM pH 6.0 and 22% (w/v) polyethylene glycol 3,350