2BZ1

CRYSTAL STRUCTURE OF APO E. COLI GTP CYCLOHYDROLASE II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2004-09-22
Detector	ADSC CCD
Spacegroup name	P 65 2 2
Unit cell lengths	71.920, 71.920, 128.630
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.570 - 1.540
R-factor	0.193
Rwork	0.193
R-free	0.21200
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.600
High resolution limit [Å]	1.540	1.540
Rmerge	0.040	0.250
Number of reflections	27407
<I/σ(I)>	76.4	2.3
Completeness [%]	89.4	26.5
Redundancy	17.2	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		1.5M AMMONIUM SULPHATE, 0.1M NA HEPES PH 7.0, 2% PEG 400, 15% GLYCEROL