5ZZE

Crystal structure of horse myoglobin crystallized by ammonium sulfate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-17
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	35.264, 28.588, 62.822
Unit cell angles	90.00, 105.75, 90.00

Refinement procedure

Resolution	33.759 - 1.423
R-factor	0.2047
Rwork	0.202
R-free	0.24770
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless (0.1.27)
Phasing software	MOLREP
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.760	33.760	1.290
High resolution limit [Å]	1.270	6.970	1.270
Rmerge	0.129	0.062	2.507
Rmeas	0.155	0.077	3.114
Rpim	0.085	0.045	1.814
Total number of observations	100278
Number of reflections	31280	202	1282
<I/σ(I)>	4.5
Completeness [%]	98.0	91.9	80.3
Redundancy	3.2	2.6	2.5
CC(1/2)	0.991	0.988	0.105

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	3.2M ammonium sulfate