6R27

Crystallographic superstructure of the photosensory core module (PAS-GAF-PHY) of the bacterial phytochrome Agp1 (AtBphP1) locked in a Pr-like state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2006-12-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791
Spacegroup name	I 4 2 2
Unit cell lengths	240.218, 240.218, 160.515
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.890 - 3.400
R-factor	0.25713
Rwork	0.255
R-free	0.29701
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hsq
RMSD bond length	0.005
RMSD bond angle	1.443
Data reduction software	XDS (Nov 1, 2016)
Data scaling software	Aimless (0.7.2)
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.890	3.580
High resolution limit [Å]	3.400	3.400
Rmerge	0.101	0.438
Rmeas	0.128	0.557
Rpim	0.079	0.341
Number of reflections	32444	4659
<I/σ(I)>	10.5	3.5
Completeness [%]	99.9	100
Redundancy	4.9	5
CC(1/2)	0.990	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	291	20-23% PEG 3350, 50 mM NaCl and 100 mM Tris/Cl, in 20% Sucrose as cryoprotectant