2VSQ

Structure of surfactin A synthetase C (SrfA-C), a nonribosomal peptide synthetase termination module

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-07-14
Detector	ADSC CCD
Spacegroup name	P 1 21 1
Unit cell lengths	83.106, 106.562, 92.401
Unit cell angles	90.00, 97.35, 90.00

Refinement procedure

Resolution	82.500 - 2.600
R-factor	0.215
Rwork	0.213
R-free	0.27200
Structure solution method	MAD
Starting model (for MR)	PDB ENTRIES 1AMU AND 2JGP
RMSD bond length	0.011
RMSD bond angle	1.272
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.500	2.670
High resolution limit [Å]	2.600	2.600
Rmerge	0.040	0.480
Number of reflections	45564
<I/σ(I)>	12.9	2
Completeness [%]	93.0	68
Redundancy	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		0.1 M MGCL2, 0.05 M HEPES (PH 7.5), 15 % (W/V) PEG 2000
1		7.5		0.1 M MGCL2, 0.05 M HEPES (PH 7.5), 15 % (W/V) PEG 2000