2QV6

GTP cyclohydrolase III from M. jannaschii (MJ0145) complexed with GTP and metal ions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	2007-06-11
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	100.203, 129.578, 90.876
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.310 - 2.000
R-factor	0.20829
Rwork	0.206
R-free	0.24431
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.523
Data reduction software	CrystalClear
Data scaling software	CrystalClear
Phasing software	SOLVE
Refinement software	REFMAC (5.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.300	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.083	0.422
Number of reflections	76172
<I/σ(I)>	8.7	2.9
Completeness [%]	94.6	92.7
Redundancy	3.9	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	292	17% PEG 4000, 0.2 M sodium acetate, 0.1 M Tris buffer, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K