101M

SPERM WHALE MYOGLOBIN F46V 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	1994-09
Detector	RIGAKU
Spacegroup name	P 6
Unit cell lengths	91.670, 91.670, 45.970
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	5.000 - 2.070
R-factor	0.157
Rwork	0.157
R-free	0.20200
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	2.080
High resolution limit [Å]	2.070	2.070
Rmerge	0.070	0.297
Number of reflections	13624
Completeness [%]	99.9	100
Redundancy	7.45	7.1

Crystallization Conditions

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