2ZKU

Structure of hepatitis C virus NS5B polymerase in a new crystal form

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	2006-10-12
Detector	ADSC QUANTUM 210
Spacegroup name	P 21 21 21
Unit cell lengths	101.990, 102.060, 251.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.640 - 1.950
R-factor	0.206
Rwork	0.206
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1c2p
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.640	2.020
High resolution limit [Å]	1.950	1.950
Number of reflections	185695
<I/σ(I)>	15	1.54
Completeness [%]	97.0	95.2
Redundancy	4.1	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	PROTEIN CONCENTRATION 40MG/ML IN 5MM 2-MERCAPTOETHANOL, 18% PEG 4000, 0.3M NACL, 0.1M SODIUM ACETATE BUFFER PH 5.0, 5MM MERCAPTOETHANOL, pH 5.00, VAPOR DIFFUSION, HANGING DROP, temperature 298K