5FQU

Orthorhombic crystal structure of of PlpD (selenomethionine derivative)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-12-16
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 21
Unit cell lengths	46.743, 113.393, 130.416
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	85.570 - 2.740
R-factor	0.19805
Rwork	0.196
R-free	0.23801
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.011
RMSD bond angle	1.416
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	autoSHARP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.580	2.900
High resolution limit [Å]	2.740	2.740
Number of reflections	19015
<I/σ(I)>	10.42	2.81
Completeness [%]	99.5	96.5
Redundancy	4.5	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				20%W/V PEG3350, 200MM SODIUM NITRATE, 0.6% N-DODECYL-BETA-D MALTOSIDE