5EX8

Structure of P450 StaF from glycopeptide antibiotic A47934 biosynthesis; ethylene glycol cryo

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-22
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9792
Spacegroup name	P 31 2 1
Unit cell lengths	110.050, 110.050, 93.650
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.670 - 2.100
R-factor	0.19565
Rwork	0.194
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3o1a
RMSD bond length	0.009
RMSD bond angle	1.193
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.200
High resolution limit [Å]	2.100	2.100
Rmerge	0.072	0.308
Number of reflections	36757
<I/σ(I)>	19.8	4.2
Completeness [%]	95.1	91.6
Redundancy	6.2	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	277	1.2 M NH4PO4, 0.3 M K2HPO4, 0.1 M NH4PO4 citrate (pH 4.2)