1DO3

CARBONMONOXY-MYOGLOBIN (MUTANT L29W) AFTER PHOTOLYSIS AT T>180K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	105
Detector technology	AREA DETECTOR
Collection date	1998-11-08
Detector	SIEMENS HI-STAR
Spacegroup name	P 6
Unit cell lengths	90.460, 90.460, 45.260
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	7.000 - 1.550
R-factor	0.193 *
Rwork	0.193
R-free	0.21800
Starting model (for MR)	1do1
RMSD bond length	0.007
RMSD bond angle	1.100
Data reduction software	SAINT ((SIEMENS))
Data scaling software	SAINT ((SIEMENS))
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	1.600
High resolution limit [Å]	1.550	1.550
Rmerge	0.046	0.166
Total number of observations	190950 *
Number of reflections	29266
<I/σ(I)>	14	4.2
Completeness [%]	95.1	84.1
Redundancy	6.5	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.5 *	292	CRYSTALS WERE GROWN IN 2.5M AMMONIUM SULFATE SOLUTION, BUFFERED WITH 20MM TRIS/ HCL TO PH 8.5. THE CRYSTALLIZATION SOLUTION WAS REPLACED IN STEPS AGAINST A SOLUTION CONTAINING 2.5M AMMONIUM SULFATE, 20MM TRIS, 300MG/ML TREHALOSE AT PH 8.5., BATCH CRYSTALLIZATION, temperature 292K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	L29W MbCO	20 (mM)
2	1	1	glycerol	75 (%)
3	1	1	potassium phosphate	25 (%(v/v))
4	1	2	ammonium sulfate	2.5 (M)
5	1	2	Tris-HCl
6	1	2	trehalose	300 (mg/ml)