2V59

CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E.COLI IN COMPLEX WITH POTENT INHIBITOR 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-BM
Synchrotron site	APS
Beamline	17-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2005-10-31
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	84.190, 106.203, 123.055
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	80.320 - 2.400
R-factor	0.21
Rwork	0.208
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dv2
RMSD bond length	0.007
RMSD bond angle	1.023
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.100	0.230
Number of reflections	40822
<I/σ(I)>	11.28	3.38
Completeness [%]	93.2	71.3
Redundancy	4.06	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				WELL: 0.1 M POTASSIUM CHLORIDE, 4% (W/V) PEG 8000 PROTEIN: 12 MG/ML, 250 MM POTASSIUM CHLORIDE, 10 MM HEPES, PH 7.2