107M

SPERM WHALE MYOGLOBIN V68F N-BUTYL ISOCYANIDE AT PH 9.0

Experimental procedure

Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	292
Detector technology	IMAGE PLATE
Collection date	1997-03
Detector	RIGAKU
Spacegroup name	P 6
Unit cell lengths	91.798, 91.798, 45.911
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	5.000 - 2.090
R-factor	0.167
Rwork	0.167
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SPERM WHALE MYOGLOBIN 0M D122N (DEOXY)
RMSD bond length	0.008
RMSD bond angle	1.300
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	2.100
High resolution limit [Å]	2.090	2.090
Rmerge	0.069	0.264
Number of reflections	12167
Completeness [%]	91.7	94.5
Redundancy	4.63	4.26

Crystallization Conditions

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