1JZM

Crystal Structure of Scapharca inaequivalvis HbI, I114M Mutant in the Absence of ligand.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	296
Detector technology	IMAGE PLATE
Collection date	2000-04-04
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	91.820, 44.490, 143.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.760 - 1.900
R-factor	0.171
Rwork	0.171
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4SDH (deoxy wild type HbI)
RMSD bond length	0.006
RMSD bond angle	1.300
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	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.069	0.256
Number of reflections	22491
<I/σ(I)>	11.2
Completeness [%]	94.8	81.7
Redundancy	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	8.5	296	Phosphate buffer, pH 8.5, Microbatch, temperature 296K
1	MICROBATCH	8.5	296	Phosphate buffer, pH 8.5, Microbatch, temperature 296K