6M4Y

Structure of a R371A mutant of a Group II PLP dependent decarboxylase from Methanocaldococcus jannaschii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2017-08-20
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	98.440, 98.440, 121.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.270 - 2.100
R-factor	0.1653
Rwork	0.164
R-free	0.20010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jy1
RMSD bond length	0.010
RMSD bond angle	0.999
Data reduction software	iMOSFLM (v7.1)
Data scaling software	Aimless (0.7.1)
Phasing software	PHENIX
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.270	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.208	1.202
Rmeas	0.212	1.226
Rpim	0.041	0.240
Number of reflections	35618	2856
<I/σ(I)>	16.7
Completeness [%]	100.0	100
Redundancy	26.5	25.9
CC(1/2)	0.998	0.851

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M sodium citrate pH 5.4, 0.2M sodium potassium tartarate, 2.0M ammonium sulphate