1RK2

E. COLI RIBOKINASE COMPLEXED WITH RIBOSE AND ADP, SOLVED IN SPACE GROUP P212121

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-05
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	55.201, 62.492, 337.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	13.000 - 2.250
Rwork	0.228
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1RKD: RESIDUES 4-9 44-93 123-241 AND 254-309
RMSD bond length	0.007
RMSD bond angle	1.440 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	13.000	2.290
High resolution limit [Å]	2.250	2.250
Rmerge	0.072	0.291
Total number of observations	188129 *
Number of reflections	55979
<I/σ(I)>	17	3.9
Completeness [%]	99.1	98.8
Redundancy	4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.8	20 *	CRYSTALS WERE GROWN IN THE PRESENCE OF 5 MM RIBOSE, 10 MM ADP, 0.05 MM ALF4 AND 15 MM NAF USING 8.8-15% PEG 4000, 0.25 M MGCL2 AND 20% MPD IN 0.1 M TRIS- HCL BUFFERED TO PH 4.8.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	ribokinase	3-3.5 (mg/ml)
2	1	reservoir	ribose	5 (mM)
3	1	reservoir	ADP	10 (mM)
4	1	reservoir	AIF3	0.05 (mM)
5	1	reservoir		15 (mM)
6	1	reservoir	sodium acetate	0.1 (M)
7	1	reservoir		0.25 (M)
8	1	reservoir	MPD	20 (%(v/v))
9	1	reservoir	PEG4000	8.8-15 (%(w/v))