5A4J

Crystal structure of FTHFS1 from T.acetoxydans Re1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-5
Synchrotron site	MAX II
Beamline	I911-5
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-30
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	90.038, 100.980, 258.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.620 - 2.150
R-factor	0.18579
Rwork	0.184
R-free	0.22021
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3RBO
RMSD bond length	0.005
RMSD bond angle	0.961
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.600	2.270
High resolution limit [Å]	2.150	2.150
Rmerge	0.070	0.530
Number of reflections	126940
<I/σ(I)>	20	3.7
Completeness [%]	98.9	84.5
Redundancy	5.3	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		0.20 M SODIUM-POTASSIUM TARTRATE 0.10 M BIS-TRIS PROPANE PH 6.5 18% W/V POLYETHYLENE GLYCOL (PEG) 3350