1QK1

CRYSTAL STRUCTURE OF HUMAN UBIQUITOUS MITOCHONDRIAL CREATINE KINASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ELLIOTT GX-18
Temperature [K]	277
Detector technology	AREA DETECTOR
Collection date	1998-12-15
Detector	MULTIWIRE SIEMENS
Spacegroup name	P 1 21 1
Unit cell lengths	91.811, 125.868, 212.074
Unit cell angles	90.00, 96.71, 90.00

Refinement procedure

Resolution	50.000 - 2.700
R-factor	0.195
Rwork	0.195
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1crk SARCOMERIC MITOCHONDRIAL CREATINE KINASE
RMSD bond length	0.010
RMSD bond angle	23.600 *
Data reduction software	XDS (V. 99)
Data scaling software	XDS (V. 99)
Phasing software	CNS (0.5)
Refinement software	CNS (0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.092	0.313
Total number of observations	616668 *
Number of reflections	130945	13429 *
<I/σ(I)>	11.1	2.7
Completeness [%]	99.4	99.1
Redundancy	4.7	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	6.75	4 *	0.025M NA-PHOSPHATE, 3 MM DTT, PH 6.75, 5 MG/ML PROTEIN

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	sodium phosphate	25 (mM)
2	1	1	beta-mercaptoethanol	2 (mM)
3	1	1	EDTA	0.2 (mM)
4	1	1	protein	5 (mg/ml)