2GYD

Complex of equine apoferritin with the H-diaziflurane photolabeling reagent

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-11-08
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9791
Spacegroup name	F 4 3 2
Unit cell lengths	181.890, 181.890, 181.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.130 - 1.720
R-factor	0.208
Rwork	0.207
R-free	0.21700
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1xz1
RMSD bond length	0.011
RMSD bond angle	1.097
Data scaling software	d*TREK (9.4L)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.130	37.130	1.780
High resolution limit [Å]	1.720	3.710	1.720
Rmerge	0.075	0.035	0.432
Total number of observations		65154	28208
Number of reflections	27676
<I/σ(I)>	16.9	40.4	2.8
Completeness [%]	99.0	99.7	93
Redundancy	18.94	21.02	10.12

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.05 M cadmium sulfate, 0.1 M HEPES, and 1.0 M sodium acetate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K