1NWN

Crystals of CO-HbI in which the structure was converted to its unligated state, and then converted back to its original CO-ligated state.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2001-09-05
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	92.620, 43.510, 83.110
Unit cell angles	90.00, 121.88, 90.00

Refinement procedure

Resolution	40.000 * - 2.800
R-factor	0.222
Rwork	0.222
R-free	0.24900 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sdh
RMSD bond length	0.011
RMSD bond angle	1.310 *
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.096	0.261
Total number of observations	15137 *
Number of reflections	6301
<I/σ(I)>	9.1
Completeness [%]	85.6	74.1 *
Redundancy	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.5	296	Summerford, C.M., (1995) Protein Eng., 8, 593., Royer, W.E.,Jr. (1994) J. Mol. Biol., 235, 657. *
1	unknown *	7.5	296	Summerford, C.M., (1995) Protein Eng., 8, 593., Royer, W.E.,Jr. (1994) J. Mol. Biol., 235, 657. *