6CHJ

Wax ester synthase/diacylglycerol acyltransferase from Marinobacter aquaeolei VT8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	80
Detector technology	CCD
Collection date	2016-02-06
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	69.268, 103.905, 69.529
Unit cell angles	90.00, 103.51, 90.00

Refinement procedure

Resolution	51.952 - 2.428
R-factor	0.2146
Rwork	0.211
R-free	0.27870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	In-house Se-Met model
RMSD bond length	0.008
RMSD bond angle	0.992
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	103.900	2.437
High resolution limit [Å]	2.428	2.428
Number of reflections	36232	366
<I/σ(I)>	23.4	2.1
Completeness [%]	100.0	100
Redundancy	10.8	10.6
CC(1/2)		0.710

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		282.15	0.2 M L-Pro, 0.1 M MES, pH 7.0, 8% PEG 3350