1G41

CRYSTAL STRUCTURE OF HSLU HAEMOPHILUS INFLUENZAE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2000-03-03
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0000
Spacegroup name	P 6 2 2
Unit cell lengths	110.620, 110.620, 335.830
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.400 - 2.300
R-factor	0.264
Rwork	0.264
R-free	0.27600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1do0
RMSD bond length	0.007
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.400	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.058	0.124
Total number of observations	168887 *
Number of reflections	53223
<I/σ(I)>	15.3	8.5
Completeness [%]	96.5	95.3
Redundancy	3.17	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *	291	PEGMME 2000, lithium sulphate, MPD, magnesium sulphate, ADP, pH 7.3, VAPOR DIFFUSION, temperature 291.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	16-20 (mg/ml)
10	1	reservoir	MPD	6 (%)
11	1	reservoir	tricine	100 (mM)
2	1	drop		0.1 (M)
3	1	drop	beta-mercaptoethanol	5 (mM)
4	1	drop		1 (mM)
5	1	drop	potassium phosphate	20 (mM)
6	1	drop	ADP	7 (mM)
7	1	reservoir	PEG2000MME	10 (%)
8	1	reservoir		0.38 (M)
9	1	reservoir		4 (mM)