2VZM

Crystal structure of the narbomycin-bound PikC D50N mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-07-15
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	60.358, 109.489, 153.096
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	89.090 - 1.850
R-factor	0.16974
Rwork	0.165
R-free	0.21079
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2c6h
RMSD bond length	0.016
RMSD bond angle	1.606
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.4.0067)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.920
High resolution limit [Å]	1.850	1.850
Rmerge	0.010	0.330
Number of reflections	87273
<I/σ(I)>	23.8	2.3
Completeness [%]	98.7	90
Redundancy	3.9	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5	296	16% PEG 8000; 0.1 M NA-CACODILATE; 0.15 M LITHIUM SULFATE; T=23 C, pH 6.5