2AMS

Structure of the oxidized Hipip from thermochromatium tepidum at 1.4 angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-07-01
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	23.460, 46.550, 59.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.550 - 1.400
R-factor	0.1572
Rwork	0.157
R-free	0.19440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1iua
RMSD bond length	0.009
RMSD bond angle	2.200
Data scaling software	d*TREK (8.0SSI)
Phasing software	MOLREP
Refinement software	SHELX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.550	1.400
High resolution limit [Å]	1.350	1.350
Rmerge	0.061	0.190
Number of reflections	11907
<I/σ(I)>	17.5	2.4
Completeness [%]	87.8	14.1
Redundancy	4.65

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.5	298	ammonium sulfate, sodium citrate, NaCl, pH 3.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K