1GQY

MURC - CRYSTAL STRUCTURE OF THE ENZYME FROM HAEMOPHILUS INFLUENZAE COMPLEXED WITH AMPPCP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	100
Detector technology	CCD
Collection date	1999-10-07
Detector	ADSC CCD
Spacegroup name	P 1 21 1
Unit cell lengths	71.600, 93.200, 86.800
Unit cell angles	90.00, 101.40, 90.00

Refinement procedure

Resolution	20.000 - 1.800
R-factor	0.18624
Rwork	0.184
R-free	0.23273
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AN EARLY VERSION OF PDB ENTRY 1GQQ
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.069	0.453
Number of reflections	93715
Completeness [%]	89.5	47.7
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.8		THE AMPPCP COMPLEX WAS FORMED BY ADDING 10MM AMPPCP AND 10MM MGCL2 TO THE CONCENTRATED PROTEIN SOLUTION AT 12MG/ML. CRYSTALS WERE GROWN USING WELL SOLUTION MADE OF 20%PEG 3350 AND 200MM SODIUM FORMATE, PH 6.8.