1NVQ

The Complex Structure Of Checkpoint Kinase Chk1/UCN-01

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2001-03-01
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	45.022, 65.641, 57.865
Unit cell angles	90.00, 94.16, 90.00

Refinement procedure

Resolution	20.000 - 2.000
Rwork	0.206
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2phk
RMSD bond length	0.007
RMSD bond angle	1.168 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.000
Rmerge	0.065 *
Total number of observations	75805 *
Number of reflections	22212 *
Completeness [%]	97.0
Redundancy	3.4 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5	293	PEG8000, ammonium sulfate, glycerol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	9 (%)
2	1	reservoir	ammonium sulfate	0.2 (M)
3	1	reservoir	glycerol	2 (%)