2VJO

Formyl-CoA transferase mutant variant Q17A with aspartyl-CoA thioester intermediates and oxalate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-2
Synchrotron site	MAX II
Beamline	I911-2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-10-04
Detector	MARRESEARCH
Spacegroup name	I 4
Unit cell lengths	153.593, 153.593, 98.055
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.200
R-factor	0.208
Rwork	0.206
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1p5h
RMSD bond length	0.010
RMSD bond angle	1.153
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.300	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.120	0.570
Number of reflections	57462
<I/σ(I)>	9.3	1.9
Completeness [%]	99.5	100
Redundancy	3.2	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1