1JZL

Crystal structure of Sapharca inaequivalvis HbI, I114M mutant ligated to carbon monoxide.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	296
Detector technology	IMAGE PLATE
Collection date	2000-02-14
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	93.110, 43.970, 83.440
Unit cell angles	90.00, 122.01, 90.00

Refinement procedure

Resolution	28.620 - 1.500
R-factor	0.215
Rwork	0.215
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sdh
RMSD bond length	0.007
RMSD bond angle	1.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.066	0.235
Number of reflections	40783
<I/σ(I)>	12.6
Completeness [%]	88.1	39.9
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.5	296	2.1-2.3M Phosphate buffer, pH 7.5, Microbatch, temperature 296K
1	MICROBATCH	7.5	296	2.1-2.3M Phosphate buffer, pH 7.5, Microbatch, temperature 296K