1KCX

X-ray structure of NYSGRC target T-45

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9A
Synchrotron site	NSLS
Beamline	X9A
Temperature [K]	93
Detector technology	CCD
Collection date	2000-10-01
Detector	ADSC QUANTUM 4
Wavelength(s)	0.984
Spacegroup name	C 2 2 21
Unit cell lengths	123.396, 152.111, 157.165
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.000 * - 2.120
Rwork	0.204
R-free	0.23300
Structure solution method	MAD
RMSD bond length	0.013 *
RMSD bond angle	1.530 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.000	2.200
High resolution limit [Å]	2.120	2.120
Rmerge	0.063	0.313
Total number of observations	753778 *
Number of reflections	78239
<I/σ(I)>	15	4
Completeness [%]	93.4	76.8
Redundancy	10	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	4 *	isopropanol, tris, ammonium acetate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	isopropanol	30 (%)
2	1	reservoir	Tris	100 (mM)	pH8.0
3	1	reservoir	ammonium acetate	200 (mM)
4	1	drop	protein	20 (mg/ml)