7DIB

Crystal structure of D-threonine aldolase from Filomicrobium marinum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2018-09-17
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 21 21 2
Unit cell lengths	70.965, 178.051, 65.458
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.300 - 2.200
R-factor	0.2134
Rwork	0.211
R-free	0.25430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4v15
RMSD bond length	0.008
RMSD bond angle	1.567
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.082	0.398
Number of reflections	41469	1981
<I/σ(I)>	19.3	3.3
Completeness [%]	96.1
Redundancy	4
CC(1/2)	0.982	0.585

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	298	PEG 400, Sodium acetate tribasic, Cadmium chloride hydrate