4R7G

Determination of the formylglycinamide ribonucleotide amidotransferase ammonia pathway by combining 3D-RISM theory with experiment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	63
Detector technology	IMAGE PLATE
Collection date	2014-06-12
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 65
Unit cell lengths	146.570, 146.570, 141.320
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.900
Rwork	0.179
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID 1T3t
RMSD bond length	0.006
RMSD bond angle	1.310
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.750
High resolution limit [Å]	2.700	7.300	2.700
Rmerge	0.167	0.076	0.586
Number of reflections	46347
<I/σ(I)>	8.1
Completeness [%]	98.1	94.7	99.2
Redundancy	5.2	5.4	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	2M ammonium sulphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K