1B1U

CRYSTAL STRUCTURE OF THE BIFUNCTIONAL INHIBITOR RAGI

Replaces:  1JFO

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X31
Temperature [K]	173
Detector technology	IMAGE PLATE
Collection date	1998-06-23
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	47.380, 54.480, 40.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.200
R-factor	0.219 *
Rwork	0.222
R-free	0.27700 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bip MODEL 20
RMSD bond length	0.009 *
RMSD bond angle	1.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE ((CCP4))
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000 *	2.280
High resolution limit [Å]	2.200	2.700 *
Rmerge	0.072 *	0.162 *
Total number of observations	57852 *
Number of reflections	5094 *
<I/σ(I)>	11.2	2.27
Completeness [%]	91.0 *	83.5 *
Redundancy	12.2	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microdialysis *	8		1.15M AMMONIUM SULFATE, 0.2M AMMONIUM PHOSPHATE PH 8.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	sodium phosphate	20 (mM)	pH8.0
2	1	1	ammonium sulfate	0.3 (M)
3	1	1	protein	10-15 (mg/ml)
4	1	2	ammonium sulfate	1.15 (M)
5	1	2	sodium phosphate	0.4 (M)	pH8.0