1GJN

Hydrogen Peroxide Derived Myoglobin Compound II at pH 5.2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM1A
Synchrotron site	ESRF
Beamline	BM1A
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-02-15
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	62.862, 28.650, 35.352
Unit cell angles	90.00, 105.93, 90.00

Refinement procedure

Resolution	20.790 - 1.350
R-factor	0.178
Rwork	0.178
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wla
RMSD bond length	0.012
RMSD bond angle	18.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.000	1.380
High resolution limit [Å]	1.350	1.350
Rmerge	0.083	0.305
Total number of observations	296944 *
Number of reflections	26717
<I/σ(I)>	22	2.7
Completeness [%]	98.4	85.4
Redundancy	4.2	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	5.2		6-10 MG/ML PROTEIN 3.0 M AMMONIUM SULPHATE, 10.8% GLYCEROL PH 5.2, RT.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	6-10 (mg/ml)
2	1	1	ammonium sulfate	3.0 (M)
3	1	1	glycerol	10.8 (%)	pH5.2