6LDR

Structure of a K245A mutant of a Group II PLP dependent decarboxylase from Methanocaldococcus jannaschii, in complex with PLP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-04
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9790
Spacegroup name	P 43 21 2
Unit cell lengths	98.380, 98.380, 121.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.820 - 1.790
R-factor	0.1704
Rwork	0.169
R-free	0.19750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jy1
RMSD bond length	0.009
RMSD bond angle	0.992
Data reduction software	iMOSFLM (v7.1)
Data scaling software	Aimless (0.6.2)
Phasing software	PHENIX
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.190	1.830
High resolution limit [Å]	1.790	1.790
Rmerge	0.092	1.119
Rmeas	0.097	1.184
Rpim	0.031	0.382
Number of reflections	56951	3322
<I/σ(I)>	15.5
Completeness [%]	100.0	100
Redundancy	9.3	9.4
CC(1/2)	0.998	0.852

Crystallization Conditions

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