6NHL

Crystal structure of QueE from Escherichia coli

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-12-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.7384, 0.972
Spacegroup name	P 21 21 21
Unit cell lengths	70.264, 74.493, 103.714
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.848 - 2.101
R-factor	0.1761
Rwork	0.173
R-free	0.22630
Structure solution method	MAD
RMSD bond length	0.003
RMSD bond angle	0.539
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	HKL2Map
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.000	2.180
High resolution limit [Å]	2.100	2.100
Number of reflections	31076
<I/σ(I)>	17.7	2.4
Completeness [%]	96.0	76
Redundancy	8.6	5.1
CC(1/2)		0.879

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	Anaerobic, 175-200 mM Magnesium chloride, 25-30% PEG 400 and Tris HCl pH 8.5