7BJ3

ScpA from Streptococcus pyogenes, S512A active site mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2010-07-13
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 63 2 2
Unit cell lengths	167.390, 167.390, 141.840
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.240 - 2.600
R-factor	0.2092
Rwork	0.206
R-free	0.26460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3eif
RMSD bond length	0.002
RMSD bond angle	0.507
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.240	2.720
High resolution limit [Å]	2.600	2.600
Rmeas	0.299	1.213
Rpim	0.125	0.509
Number of reflections	36554	4386
<I/σ(I)>	7.5	1.6
Completeness [%]	100.0	100
Redundancy	5.6	5.6
CC(1/2)	0.968	0.499

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	2.0 M Ammonium sulfate, 0.2 M Hepes/KOH pH 7.5