4UQF

CRYSTAL STRUCTURE OF LISTERIA MONOCYTOGENES GTP CYCLOHYDROLASE I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-10-08
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 1 21 1
Unit cell lengths	78.249, 141.847, 90.776
Unit cell angles	90.00, 104.61, 90.00

Refinement procedure

Resolution	87.840 - 2.400
R-factor	0.19415
Rwork	0.192
R-free	0.22593
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fb1
RMSD bond length	0.014
RMSD bond angle	1.773
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0071)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.070	0.570
Number of reflections	74531
<I/σ(I)>	19.2	3.5
Completeness [%]	99.7	99.8
Redundancy	6.9	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.3		0.1 M HEPES PH 7.3, 1.33 M SODIUM CITRATE