2V1F

Crystal structure of radiation-induced myoglobin compound II - intermediate H at pH 8.7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM1A
Synchrotron site	ESRF
Beamline	BM1A
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2004-02-14
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	62.970, 28.668, 35.537
Unit cell angles	90.00, 105.74, 90.00

Refinement procedure

Resolution	34.000 - 1.200
R-factor	0.135
Rwork	0.134
R-free	0.16300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gjn
RMSD bond length	0.051
RMSD bond angle	0.950
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.300	1.260
High resolution limit [Å]	1.180	1.200
Rmerge	0.040	0.350
Number of reflections	38266
<I/σ(I)>	9.36	2.14
Completeness [%]	99.1	99.2
Redundancy	2.55	2.32

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.7		BATCH METHOD: 6-12 MG/ML MYOGLOBIN, 80-85% OF THE CRYSTALLIZATION STOCK-SOLUTION (3.9 M AMMONIUM SULPHATE, 0.1 M TAPS AND 5-10% OF GLYCEROL PH 8.7)