5K95

Crystal Structure of GTP Cyclohydrolase-IB with 8-oxo-GTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	80
Detector technology	CCD
Collection date	2009-06-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9774
Spacegroup name	C 2 2 21
Unit cell lengths	91.876, 100.557, 115.041
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.070 - 2.770
R-factor	0.18012
Rwork	0.175
R-free	0.27680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3D1T
RMSD bond length	0.010
RMSD bond angle	1.474
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.070	2.900
High resolution limit [Å]	2.770	2.800
Rmerge	0.058	0.623
Number of reflections	13898
<I/σ(I)>	10.4	1.833
Completeness [%]	99.7
Redundancy	8.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.8	293	10-16% polyethylene glycol 6000, 0.6-1.4 M LiCl, 60 mM HEPES pH 8.2, 40 mM HEPES