2FWT

Crystal structure of DHC purified from Rhodobacter sphaeroides

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2001-09-01
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9, 1.74
Spacegroup name	P 31 2 1
Unit cell lengths	72.790, 72.790, 51.484
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.850
R-factor	0.1519
Rwork	0.150
R-free	0.19272
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.594
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.950
High resolution limit [Å]	1.850	1.850
Rmerge	0.068	0.342
Number of reflections	13408
<I/σ(I)>	11.4	2.8
Completeness [%]	95.2	94.3
Redundancy	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	20% PEG 3000, 0.2M ammonium acetate, 0.1M MES pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K