4O7R

SAICAR synthetase (Type-2) in complex with UMP/UDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-10-01
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	43.800, 153.070, 77.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.150 - 2.350
R-factor	0.2005
Rwork	0.198
R-free	0.24920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3u55
RMSD bond length	0.010
RMSD bond angle	1.636
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.520	2.480
High resolution limit [Å]	2.350	2.350
Rmerge	0.108	0.489
Number of reflections	10808
<I/σ(I)>	12.7	3.4
Completeness [%]	96.3	93.5
Redundancy	5.4	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microbatch Underoil	4.6	293	0.2M Ammonium Sulphate, 0.1M Sodium acetate trihydrate, 30% w/v PEG monomethyl ether 2000, pH 4.6, Microbatch Underoil, temperature 293K