5GOV

Crystal Structure of MCR-1, a phosphoethanolamine transferase, extracellular domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2016-06-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97900
Spacegroup name	P 21 21 21
Unit cell lengths	54.439, 55.833, 219.388
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.127 - 2.330
R-factor	0.1883
Rwork	0.186
R-free	0.23580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kay
RMSD bond length	0.009
RMSD bond angle	1.184
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.330
Number of reflections	29251
<I/σ(I)>	22.27
Completeness [%]	97.5
Redundancy	11.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291.15	PEG8000, Sodium cacodylate trihydrate, Zinc acetate dihydrate