111M

SPERM WHALE MYOGLOBIN D122N N-BUTYL ISOCYANIDE AT PH 9.0

Experimental procedure

Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	292
Detector technology	AREA DETECTOR
Collection date	1993-02
Detector	SIEMENS
Spacegroup name	P 6
Unit cell lengths	91.543, 91.543, 45.745
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	5.000 - 1.880
R-factor	0.165
Rwork	0.165
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SPERM WHALE MYOGLOBIN 0M D122N (DEOXY)
RMSD bond length	0.010
RMSD bond angle	1.400
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	6.000	1.890
High resolution limit [Å]	1.880	1.880
Rmerge	0.053	0.263
Number of reflections	17579
Completeness [%]	98.7	96.7
Redundancy	2.73	2.64

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		9		3.0 M AMMONIUM SULFATE, 20 MM TRIS, 1MM EDTA, PH 9.0