6BAK

The structure of the Stigmatella aurantiaca phytochrome chromophore binding domain T289H mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.987
Spacegroup name	P 32 2 1
Unit cell lengths	131.449, 131.449, 95.741
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.423 - 1.920
R-factor	0.2065
Rwork	0.206
R-free	0.22480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rq9
RMSD bond length	0.018
RMSD bond angle	1.822
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.080
High resolution limit [Å]	2.030	2.030
Rmerge	0.088	0.989
Rpim	0.049	0.746
Number of reflections	71587	4196
<I/σ(I)>	6.4
Completeness [%]	98.0	98.7
Redundancy	4.4	4.4
CC(1/2)	0.997	0.416

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	289	0.07 M sodium acetate trihydrate, pH 4.6, 1.4 M sodium formate, 30% w/v glycerol