1X2W

Crystal Structure of Apo-Habu IX-bp at pH 4.6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-09-11
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	134.121, 37.831, 55.828
Unit cell angles	90.00, 110.46, 90.00

Refinement procedure

Resolution	34.680 - 2.290
Rwork	0.214
R-free	0.28000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bj3
RMSD bond length	0.006
RMSD bond angle	1.300
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.200	2.370
High resolution limit [Å]	2.290	2.290
Rmerge	0.086	0.272
Number of reflections	11631
<I/σ(I)>	7.3	2.3
Completeness [%]	95.7	89.8
Redundancy	3.8	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	AMMONIUM SULPHATE, RUBIDIUM ACETATE, PEGMME 2000, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K