5FIF

Carboxyltransferase domain of a single-chain bacterial carboxylase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-02-05
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	111.470, 149.570, 189.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.554 - 2.494
R-factor	0.2031
Rwork	0.202
R-free	0.24180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1on3
RMSD bond length	0.003
RMSD bond angle	0.602
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.554	2.580
High resolution limit [Å]	2.494	2.494
Rmerge	0.215
Number of reflections	110205
<I/σ(I)>	13.34	1.9
Completeness [%]	99.6	97.4
Redundancy	13.6	13.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	PEG 3350 DL-Malic acid