1UNV

Structure Based Engineering of Internal Molecular Surfaces Of Four Helix Bundles

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	114
Collection date	2003-07-15
Spacegroup name	P 41 3 2
Unit cell lengths	78.089, 78.089, 78.089
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.050 - 2.140
Rwork	0.241
R-free	0.30200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.075
RMSD bond angle	4.791
Data reduction software	CrystalClear ((MSC/RIGAKU))
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.920	2.140
High resolution limit [Å]	2.070	2.070
Rmerge	0.055	0.361
Number of reflections	5365
<I/σ(I)>	9.1	1.6
Completeness [%]	97.7	100
Redundancy	3.7	3.32

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7		HANGING DROP, RESERVOIR: 10%W/V PEG 6K, 2 M NACL, PH 7.0