2BNI

pLI mutant E20C L16G Y17H, antiparallel

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Collection date	2004-12-09
Spacegroup name	P 31
Unit cell lengths	25.814, 25.814, 148.595
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	149.070 - 1.500
R-factor	0.239
Rwork	0.237
R-free	0.27600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.021
RMSD bond angle	2.071
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.500
Rmerge	0.070
Number of reflections	89229
<I/σ(I)>	25.65
Completeness [%]	97.2
Redundancy	5.17

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP			SITTING DROP WITH 200NL 20% PEG 3350 0.2M POTASSIUM THIOCYANATE AND 200NL 20MG/ML PEPTIDE STOCK IN WATER.