7YQA

Crystal structure of D-threonine aldolase from Chlamydomonas reinhardtii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	95
Detector technology	CCD
Collection date	2015-11-27
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.00000
Spacegroup name	P 1
Unit cell lengths	64.792, 74.096, 89.939
Unit cell angles	77.07, 69.34, 71.93

Refinement procedure

Resolution	83.460 - 1.850
R-factor	0.2187
Rwork	0.217
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4v15
RMSD bond length	0.008
RMSD bond angle	1.384
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	83.460	42.281	1.950
High resolution limit [Å]	1.850	5.850	1.850
Rmerge		0.024	0.142
Rmeas	0.062	0.034	0.201
Rpim	0.044	0.024	0.142
Total number of observations		5549	26299
Number of reflections	111548	3079	16831
<I/σ(I)>	9.2	20.5	3
Completeness [%]	88.6	77.4	91.3
Redundancy	1.6	1.8	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	PEG 1540, 2-methyl-2,4-pentanediol, Magnesium nitrate