4WWZ

UndA complexed with 2,3-dodecenoic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.11587
Spacegroup name	P 2 2 21
Unit cell lengths	67.480, 74.160, 142.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.160 - 1.800
R-factor	0.16133
Rwork	0.158
R-free	0.22534
RMSD bond length	0.010
RMSD bond angle	1.337
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.160	1.840
High resolution limit [Å]	1.800	1.800
Number of reflections	63640
<I/σ(I)>	8.1
Completeness [%]	97.0	94.9
Redundancy	6.7	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1 M MES, 1.8 M ammonium sulfate, 0.2 mM iron(II) ammonium sulfate, pH 6.5-7.0