6BAP

Stigmatella aurantiaca bacterial phytochrome PAS-GAF-PHY, 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	2013-11-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.987
Spacegroup name	P 32 2 1
Unit cell lengths	83.310, 83.310, 475.050
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.284 - 2.650
R-factor	0.2448
Rwork	0.241
R-free	0.31480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bao
RMSD bond length	0.013
RMSD bond angle	1.572
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.600	2.720
High resolution limit [Å]	2.650	2.650
Rmeas	0.084	1.081
Rpim	0.041	0.553
Number of reflections	56756	4109
<I/σ(I)>	7.9	0.8
Completeness [%]	99.1	99.1
Redundancy	3.5	3.3
CC(1/2)	0.997	0.364

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	289	11 mg/mL protein in 0.1 M MES, pH 6.2, 8-5% w/v PEG20000, 5.2% v/v acetonitrile