1HQN

THE SELENOMETHIONINE DERIVATIVE OF P3, THE MAJOR COAT PROTEIN OF THE LIPID-CONTAINING BACTERIOPHAGE PRD1.

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	1997-06-10
Detector	BRANDEIS
Wavelength(s)	0.9790, 0.9786, 0.9500
Spacegroup name	P 21 21 21
Unit cell lengths	117.960, 121.300, 126.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 * - 2.200
R-factor	0.201 *
Rwork	0.200
R-free	0.22800 *
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.460 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.250
High resolution limit [Å]	2.150	2.150
Rmerge	0.065	0.537
Number of reflections	87548
<I/σ(I)>	22	12
Completeness [%]	98.5	95
Redundancy	4.9	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	298	30% MPD, 0.2 M NACL, 0.1 M SODIUM ACETATE, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	MPD	35 (%)
2	1	reservoir	sodium acetate	0.1 (M)	pH4.1-4.3
3	1	reservoir		0.2 (M)