3C0F

Crystal Structure of a novel non-Pfam protein AF1514 from Archeoglobus fulgidus DSM 4304 solved by S-SAD using a Cr X-ray source

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-11-12
Detector	RIGAKU RAXIS IV++
Spacegroup name	P 41 21 2
Unit cell lengths	49.737, 49.737, 106.462
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.080 - 1.800
R-factor	0.20652
Rwork	0.206
R-free	0.22647
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.009
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHARP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.080	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.041	0.215
Number of reflections	11982
<I/σ(I)>	46.2	4.8
Completeness [%]	91.4	58
Redundancy	9.2	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	291	0.1 M sodium chloride, 0.1 M sodium acetate trihydrate, 10 % v/v MPD, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	5	291	0.1 M sodium chloride, 0.1 M sodium acetate trihydrate, 10 % v/v MPD, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K