3GVY

Crystal structure of bacterioferritin from R.sphaeroides

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 4A
Synchrotron site	PAL/PLS
Beamline	4A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-10
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000
Spacegroup name	I 4 2 2
Unit cell lengths	160.495, 160.495, 116.276
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.570 - 2.800
R-factor	0.2295
Rwork	0.227
R-free	0.28440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jgc
RMSD bond length	0.018
RMSD bond angle	1.720
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.900
High resolution limit [Å]	2.800	6.030	2.800
Rmerge	0.142	0.065	0.357
Rmeas	0.142
Total number of observations	90720
Number of reflections	17331
<I/σ(I)>	9.4
Completeness [%]	89.4	93.5	81.4
Redundancy	5.2	7.9	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	295	0.1M Na-citrate, pH5.6, 14-20% (w/v) PEG 200, VAPOR DIFFUSION, HANGING DROP, temperature 295K