6BXL

Crystal structure of Pyrococcus horikoshii Dph2 with 4Fe-4S cluster and SAM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	57.035, 80.904, 161.058
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.544 - 2.301
R-factor	0.1912
Rwork	0.188
R-free	0.24910
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3lzc
RMSD bond length	0.007
RMSD bond angle	0.831
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.350
High resolution limit [Å]	2.300	5.670	2.300
Rmerge	0.055	0.025	0.361
Number of reflections	33136	2353	1946
<I/σ(I)>	11.9
Completeness [%]	97.8	95.4	88.1
Redundancy	4	3.9	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	31-35% (v/v) PEG 400, either 0.1 M sodium citrate buffer pH 5.5 or MES buffer pH 6.5, 0.2 M Li2SO4 and 2% (v/v) ethylene glycol