4PFM

SHEWANELLA BENTHICA DHDPS WITH LYSINE AND PYRUVATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	74.273, 83.929, 143.868
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.960 - 2.327
R-factor	0.16473
Rwork	0.162
R-free	0.20634
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID 4ICN
RMSD bond length	0.023
RMSD bond angle	1.966
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.960	2.450
High resolution limit [Å]	2.327	2.327
Number of reflections	39241
<I/σ(I)>	16.3
Completeness [%]	99.7	97.9
Redundancy	7.2	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	281	22%(W/V) PEG 3350, 100mM TRISODIUM CITRATE-CITRIC ACID (PH 5.5), VAPOR DIFFUSION, HANGING DROP TEMPERATURE 281K