3OOX

Crystal structure of a putative 2OG-Fe(II) oxygenase family protein (CC_0200) from CAULOBACTER CRESCENTUS at 1.44 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-11
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	57.645, 80.920, 142.373
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.822 - 1.440
R-factor	0.1704
Rwork	0.169
R-free	0.19690
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.391
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.822	28.822	1.480
High resolution limit [Å]	1.440	6.440	1.440
Rmerge		0.042	0.927
Total number of observations		6445	42297
Number of reflections	118773
<I/σ(I)>	9.3	21.7	1.7
Completeness [%]	98.4	96.2	96.8
Redundancy	5	4.4	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	20.0% polyethylene glycol 4000, 5.0% 2-propanol, 0.1M HEPES pH 7.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K