6BXK

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

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	2009-06-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	55.509, 80.458, 161.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.480 - 2.347
R-factor	0.184
Rwork	0.180
R-free	0.25040
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3lzc
RMSD bond length	0.007
RMSD bond angle	0.847
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	2.430
High resolution limit [Å]	2.350	5.060	2.350
Rmerge	0.062	0.040	0.338
Total number of observations	130240
Number of reflections	29510	3198	2311
<I/σ(I)>	12
Completeness [%]	94.8	96.2	75.3
Redundancy	4.4	4.5	2.7

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