2YNM

Structure of the ADPxAlF3-Stabilized Transition State of the Nitrogenase-like Dark-Operative Protochlorophyllide Oxidoreductase Complex from Prochlorococcus marinus with Its Substrate Protochlorophyllide a

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-17
Detector	RAYONIX
Spacegroup name	C 1 2 1
Unit cell lengths	308.400, 74.110, 74.230
Unit cell angles	90.00, 91.24, 90.00

Refinement procedure

Resolution	34.510 - 2.100
R-factor	0.2006
Rwork	0.199
R-free	0.23310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 3FWY AND 2XDQ
RMSD bond length	0.004
RMSD bond angle	1.018
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.510	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.050	0.260
Number of reflections	81370
<I/σ(I)>	14.32	3
Completeness [%]	83.1	48.2
Redundancy	2.6	0.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		CRYSTALLIZED FROM 3% (W/V) PEG 6000, 100MM KCL, 100MM TRIS, PH 8.5; THEN SOAKED WITH 13% (W/V) PEG 8000, 100MM HEPES, PH 7.5, 15% (V/V) GLYCEROL, 5MM DTT, 0.01MM PCHLIDE, 24MM DMSO