1AQC

X11 PTB DOMAIN-10MER PEPTIDE COMPLEX

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-08
Detector	RIGAKU
Spacegroup name	P 41 21 2
Unit cell lengths	74.400, 74.400, 157.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 2.300
R-factor	0.21
Rwork	0.210
R-free	0.30300
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.800
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.8)
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.083 *	0.229 *
Total number of observations	69525 *
Number of reflections	18927 *
<I/σ(I)>	18.7	4.7
Completeness [%]	92.4	80
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5	21 *	pH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	1.4 (M)
2	1	reservoir	MES	100 (mM)
3	1	reservoir		100 (mM)