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Mapping protein matrix cavities in human cytoglobin through Xe atom binding: a crystallographic investigation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Collection date	2003-08-15
Spacegroup name	P 21 21 21
Unit cell lengths	47.840, 70.520, 98.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.800 - 2.400
R-factor	0.19391
Rwork	0.192
R-free	0.23804
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.057	0.159
Number of reflections	22810
<I/σ(I)>	4	2
Completeness [%]	98.7	99.4
Redundancy	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5		pH 5.00