1NMQ

Extendend Tethering: In Situ Assembly of Inhibitors

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-05-05
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	68.858, 89.043, 96.531
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.24698
Rwork	0.241
R-free	0.29900 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cp3
RMSD bond length	0.010
RMSD bond angle	1.411
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000 *
High resolution limit [Å]	2.400
Rmerge	0.104 *
<I/σ(I)>	6.8
Completeness [%]	95.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.5 *	20 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5-10 (mg/ml)
2	1	drop	Tris	10 (mM)	pH8.5
3	1	reservoir	sodium citrate	100 (mM)	pH5.9
4	1	reservoir	glycerol	4 (%(v/v))
5	1	reservoir	PEG6000	10-20 (%(w/v))
6	1	reservoir	dithiothreitol	10 (mM)