2XDQ

Dark Operative Protochlorophyllide Oxidoreductase (ChlN-ChlB)2 Complex

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2007-12-10
Detector	ADSC CCD
Spacegroup name	P 63 2 2
Unit cell lengths	192.095, 192.095, 132.504
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	103.650 - 2.400
R-factor	0.20408
Rwork	0.201
R-free	0.25690
Structure solution method	SIRAS
Starting model (for MR)	NONE
RMSD bond length	0.020
RMSD bond angle	2.023
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHELX (C D E)
Refinement software	REFMAC (5.5.0088)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.080	0.470
Number of reflections	54878
<I/σ(I)>	20	3.5
Completeness [%]	99.1	100
Redundancy	8.3	8.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.1	290	PROTEIN CONCENTRATION = 10 MG/ML TEMPERATURE = 17 DEGREES C ATMOSPHERE - ANAEROBIC, REDUCING METHOD - HANGING DROP VOLUMES - 3MICROL PROTEIN - 3MICROL RESERVOIR SOLUTION RESERVOIR - 9.5% PEG 6000, 85MM HEPES PH 7.1, CRYOPROTECTANT - 14% MPD, 15% GLYCEROL
1	VAPOR DIFFUSION, HANGING DROP	7.1	290	PROTEIN CONCENTRATION = 10 MG/ML TEMPERATURE = 17 DEGREES C ATMOSPHERE - ANAEROBIC, REDUCING METHOD - HANGING DROP VOLUMES - 3MICROL PROTEIN - 3MICROL RESERVOIR SOLUTION RESERVOIR - 9.5% PEG 6000, 85MM HEPES PH 7.1, CRYOPROTECTANT - 14% MPD, 15% GLYCEROL