6UYK

Dark-operative protochlorophyllide oxidoreductase in the nucleotide-free form.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-09
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.008
Spacegroup name	I 1 2 1
Unit cell lengths	92.513, 100.918, 117.789
Unit cell angles	90.00, 99.27, 90.00

Refinement procedure

Resolution	41.710 - 2.600
R-factor	0.2354
Rwork	0.231
R-free	0.27720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fwy
RMSD bond length	0.002
RMSD bond angle	0.393
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.200	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.173	0.908
Rpim	0.057	0.413
Number of reflections	32733	3125
<I/σ(I)>	9.2	1.5
Completeness [%]	99.5	95.3
Redundancy	9.3	5.1
CC(1/2)	0.990	0.573

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		288	1 ul BchL protein in 100 mM HEPES pH 7.5, 150 mM NaCl, 10% (v/v) glycerol was mixed with 2 ul well solution containing 0.6 M sodium chloride, 0.1 M MES:NaOH pH 6.5, 20% (w/v) PEG 4000. Prior to freezing, the well solution was mixed in an equal volume of cryoprotectant solution with a final concentration of 9% (w/v) sucrose, 2% (w/v) glucose, 8% (v/v) glycerol, and 8% (v/v) ethylene glycol. Crystals were soaked for a few seconds in the cryoprotectant before being frozen in liquid nitrogen