5CQB

Crystal structure of E. coli undecaprenyl pyrophosphate synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-28
Detector	RAYONIX MX300HE
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	62.981, 68.229, 111.412
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.279 - 2.200
R-factor	0.1943
Rwork	0.192
R-free	0.24440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.031
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.280	46.280	2.270
High resolution limit [Å]	2.200	9.070	2.200
Rmerge	0.129	0.024	1.142
Rpim	0.060	0.013	0.527
Total number of observations	134678	1828	11494
Number of reflections	25073
<I/σ(I)>	13	53.2	1.8
Completeness [%]	99.9	98.6	100
Redundancy	5.4	4.4	5.4
CC(1/2)	0.997	0.999	0.584

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.1 M lithium sulfate, 0.1 M ADA 6.5, 12 % w/v PEG 4K, 20 % glycerol