3IN1

Crystal structure of a putative Ribokinase in complex with ADP from E.coli

Experimental procedure

Experimental method	MOLECULAR REPLACEMENT
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-16
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	75.577, 88.301, 116.608
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.290 - 2.150
R-factor	0.226
Rwork	0.226
R-free	0.26600
Structure solution method	MOLREP
Starting model (for MR)	3h49
RMSD bond length	0.006
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.230
High resolution limit [Å]	2.150	2.150
Number of reflections	43219
<I/σ(I)>	7.3	5.3
Completeness [%]	99.6	96.4
Redundancy	10	9.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.6	292	0.2M AMMONIUM ACETATE, 30% PEG 4K, SODIUM CITRATE 5.6PH, 10% ISOPROPANOL, 10MM ADP sodium salt, VAPOR DIFFUSION, SITTING DROP, temperature 292K