4DXF

Crystal structure of Staphylococcal Superantigen-Like protein 4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-05-05
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	96.102, 81.195, 57.301
Unit cell angles	90.00, 105.45, 90.00

Refinement procedure

Resolution	27.620 - 1.700
R-factor	0.21126
Rwork	0.209
R-free	0.26140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 2RDH and 2Z8L
RMSD bond length	0.025
RMSD bond angle	2.096
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.620	27.620	1.780
High resolution limit [Å]	1.700	5.380	1.700
Rmerge	0.058	0.039	0.698
Number of reflections	46435
<I/σ(I)>	17.14
Completeness [%]	99.7	96.4	99.2
Redundancy	9.9	10	9.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291.15	21% MPEG 5000, 0.2M bis-tris propane, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291.15K