3P4E

Phosphoribosylformylglycinamidine cyclo-ligase from Vibrio cholerae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-22
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 32 2 1
Unit cell lengths	106.277, 106.277, 61.379
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.170 - 1.770
R-factor	0.1502
Rwork	0.149
R-free	0.17500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cli
RMSD bond length	0.018
RMSD bond angle	1.703
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.200	50.000	1.800
High resolution limit [Å]	1.770	4.800	1.770
Rmerge	0.051	0.017	0.682
Number of reflections	39208
<I/σ(I)>	10.7		2.05
Completeness [%]	100.0	99.9	100
Redundancy	6.9	6.7	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.3	289	0.2 M ammonium-citrate dibasic, 20% PEG 3350, pH 4.3, VAPOR DIFFUSION, SITTING DROP, temperature 289K