5MM8

Atomic resolution structure of SplE protease from Staphylococcus aureus

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	2009-09-14
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	42.696, 56.069, 78.201
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 1.750
R-factor	0.18106
Rwork	0.179
R-free	0.22123
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2w7s
RMSD bond length	0.010
RMSD bond angle	1.407
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.380
High resolution limit [Å]	1.750	1.750
Rmerge	0.063	0.156
Number of reflections	18911
<I/σ(I)>	30.9	9.2
Completeness [%]	96.4	77.7
Redundancy	11.5	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	Tris, magnesium chloride, PEG 4000