1NM3

Crystal structure of Heamophilus influenza hybrid-Prx5

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-18B
Synchrotron site	Photon Factory
Beamline	BL-18B
Temperature [K]	180
Detector technology	CCD
Collection date	2001-11-22
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	72.854, 72.854, 229.633
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	99.000 - 2.800
R-factor	0.239
Rwork	0.239
R-free	0.28300
Structure solution method	MAD
RMSD bond length	0.008 *
RMSD bond angle	1.400 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHARP
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	99.000
High resolution limit [Å]	2.800	2.800
Rmerge	0.085 *	0.264 *
Total number of observations	407938 *
Number of reflections	15906 *
Completeness [%]	98.5	100 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8	298	Ammonium sulfate, sodium acetate, tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	1.6 (M)
2	1	reservoir	sodium acetate	0.2 (M)
3	1	reservoir	Tris-HCl	0.1 (M)	pH8.0
4	1	drop	protein	10 (mg/ml)