2O9B

Crystal Structure of Bacteriophytochrome chromophore binding domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2005-10-27
Detector	BRUKER PROTEUM
Spacegroup name	C 1 2 1
Unit cell lengths	89.500, 51.500, 80.800
Unit cell angles	90.00, 116.40, 90.00

Refinement procedure

Resolution	23.710 - 2.150
R-factor	0.1911
Rwork	0.189
R-free	0.23695
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ZTU without chromophore or his tag
RMSD bond length	0.014
RMSD bond angle	1.806
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.000	2.230
High resolution limit [Å]	2.150	2.150
Rmerge	0.104	0.333
Number of reflections	17484
<I/σ(I)>	10	2.7
Completeness [%]	96.4	78.8
Redundancy	6.2	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	0.095 M sodium citrate, 19% v/v isopropanol, 19% v/v PEG 4000, 5% V/V glycerol, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K