3RDM

Crystal structure of R7-2 streptavidin complexed with biotin/PEG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2008-07-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9791
Spacegroup name	I 41 2 2
Unit cell lengths	57.436, 57.436, 173.958
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.170 - 1.600
R-factor	0.2165
Rwork	0.215
R-free	0.24480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2izi
RMSD bond length	0.010
RMSD bond angle	1.439
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.2)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.660
High resolution limit [Å]	1.600	3.450	1.600
Rmerge	0.077	0.055	0.367
Number of reflections	19742
<I/σ(I)>	11.6
Completeness [%]	99.7	98	99.5
Redundancy	6.3	5.9	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	0.2 MgCl2, 0.1 Bis-Tris, pH 5.5, 25% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 298K