2Q6L

SalL double mutant Y70T/G131S with CLDA and L-MET

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Collection date	2006-09-01
Wavelength(s)	1
Spacegroup name	P 63 2 2
Unit cell lengths	111.080, 111.080, 93.360
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.720
R-factor	0.23935
Rwork	0.237
R-free	0.28290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rqp
RMSD bond length	0.006
RMSD bond angle	1.110
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.880
High resolution limit [Å]	2.720	2.720
Rmerge	0.140	0.370
Number of reflections	9501
<I/σ(I)>	9.62	3.9
Redundancy	4.07	4.14

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	28% PEG3350, 0.3M KCL, 2mM DTT, 0.1 M MOPSO, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 277K