3UWC

Structure of an aminotransferase (DegT-DnrJ-EryC1-StrS family) from Coxiella burnetii in complex with PMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-07
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	76.899, 76.899, 144.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.997 - 1.800
R-factor	0.1683
Rwork	0.167
R-free	0.18750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3frk
RMSD bond length	0.006
RMSD bond angle	0.964
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.064	0.037	0.611
Number of reflections	40977
<I/σ(I)>	10.7
Completeness [%]	99.8	98.9	98.2
Redundancy	9.8	10.7	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	1.6 M ammonium sulfate, 10% dioxane, 0.1 M MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K