5LQ8

1.52 A resolution structure of PhnD1 from Prochlorococcus marinus (MIT 9301) in complex with methylphosphonate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97951
Spacegroup name	P 1 21 1
Unit cell lengths	45.860, 57.080, 54.170
Unit cell angles	90.00, 106.56, 90.00

Refinement procedure

Resolution	44.000 - 1.520
R-factor	0.15997
Rwork	0.158
R-free	0.20707
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lq5
RMSD bond length	0.014
RMSD bond angle	1.519
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0151)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.000	1.550
High resolution limit [Å]	1.520	1.520
Rmerge	0.021	0.431
Number of reflections	40089
<I/σ(I)>	16.2	1.2
Completeness [%]	97.0	90.4
Redundancy	2.2	1.8
CC(1/2)	0.997	0.679

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	290	0.1 M MMT (DL-malic acid, MES and Tris base) buffer pH 8.0 and 25% (w/v) PEG 1500