3W1H

Crystal structure of the selenocysteine synthase SelA from Aquifex aeolicus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	90
Detector technology	CCD
Collection date	2007-12-03
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00000
Spacegroup name	P 41 21 2
Unit cell lengths	167.033, 167.033, 211.109
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.247 - 3.893
R-factor	0.2235
Rwork	0.220
R-free	0.28220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3w1i
RMSD bond length	0.008
RMSD bond angle	1.222
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	4.040
High resolution limit [Å]	3.893	3.900
Rmerge	0.103	0.736
Number of reflections	26396
<I/σ(I)>	15.3	2.02
Completeness [%]	94.1	86.8
Redundancy	9.1	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	120mM Tris-HCl, 11% PEG 4000, 200mM MgCl2, 90mM NiCl2, 50mM Na2S2O3, 50mM L-serine, 0.2M NaCl, 10mM 2-mercaptoethanol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K