6M0A

The heme-bound structure of the chloroplast protein At3g03890

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2017-12-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 1
Unit cell lengths	60.346, 79.936, 80.105
Unit cell angles	99.95, 109.41, 104.05

Refinement procedure

Resolution	32.844 - 2.200
R-factor	0.194
Rwork	0.192
R-free	0.23290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4n7r
RMSD bond length	0.009
RMSD bond angle	0.970
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.075	0.574
Rpim	0.047	0.345
Number of reflections	60833	5279
<I/σ(I)>	14.2	2.4
Completeness [%]	78.3
Redundancy	3.5
CC(1/2)	0.990	0.764

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	289	0.2 M ammonium acetate, 0.1 M trisodium citrate, 25% (w/v) PEG 4,000