4HI2

Crystal structure of an Acylphosphatase protein cage

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-07-13
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 31
Unit cell lengths	104.940, 104.940, 147.811
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.178 - 3.100
R-factor	0.2244
Rwork	0.221
R-free	0.28910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bjd
RMSD bond length	0.009
RMSD bond angle	1.340
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.180
High resolution limit [Å]	3.100	3.100
Number of reflections	31972
<I/σ(I)>		5.8
Completeness [%]	96.8	96.8
Redundancy	1.8	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	1.6M AMS, 0.1M HEPES, pH=7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K