7S2X

Structure of SalC, a gamma-lactam-beta-lactone bicyclase for salinosporamide biosynthesis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00003
Spacegroup name	P 1 21 1
Unit cell lengths	84.330, 218.290, 87.870
Unit cell angles	90.00, 111.01, 90.00

Refinement procedure

Resolution	44.850 - 2.850
R-factor	0.199
Rwork	0.197
R-free	0.22970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hg4
RMSD bond length	0.003
RMSD bond angle	0.600
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.18_3845)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.850	3.020
High resolution limit [Å]	2.850	2.850
Rmerge	0.078
Rmeas	0.100
Number of reflections	66868	10562
<I/σ(I)>	11.32
Completeness [%]	96.8
Redundancy	2.3
CC(1/2)		0.698

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		300	1.0 uL 1.7-3.4 mg/mL SalC was mixed with 1.0 uL well solution (0.10M HEPES pH 8.5, 30 % (w/v) PEG 3350, and 0.30 M KCl) to make a 2 uL hanging drop in a sealed well with 400 uL well solution