4ZQE

Crystal structure of DOX-P Reductoisomerase in complex with magnesium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-02-20
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9173
Spacegroup name	P 41
Unit cell lengths	133.210, 133.210, 77.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.400 - 1.980
R-factor	0.17203
Rwork	0.171
R-free	0.19513
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	1.882
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall
Low resolution limit [Å]	44.400
High resolution limit [Å]	1.980
Number of reflections	93623
<I/σ(I)>	8.3
Completeness [%]	99.3
Redundancy	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M sodium citrate pH 5.2, 0.15 sodium/potassium tartrate 1.6 M ammonium sulphate