4ZC8

Structure of Acetobacter aceti PurE-S57T

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-03
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97856
Spacegroup name	I 4 2 2
Unit cell lengths	99.775, 99.775, 165.021
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.613 - 1.754
R-factor	0.1438
Rwork	0.143
R-free	0.16680
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4ycb
RMSD bond length	0.007
RMSD bond angle	0.960
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.087	0.866
Number of reflections	41984
<I/σ(I)>	45.2	2.9
Completeness [%]	100.0	100
Redundancy	14.6	14.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.3	295	25% (v/v) PEG 4000, 0.1 M Tris-HCl, 0.2 M lithium sulfate