5XL0

met-aquo form of sperm whale myoglobin reconstituted with 7-PF, a heme possesseing CF3 group as side chain

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	2014-05-28
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.1
Spacegroup name	P 1 21 1
Unit cell lengths	34.261, 30.854, 64.130
Unit cell angles	90.00, 105.36, 90.00

Refinement procedure

Resolution	30.920 - 1.250
R-factor	0.1632
Rwork	0.163
R-free	0.17330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.958
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.040	1.270
High resolution limit [Å]	1.250	1.250
Number of reflections	72066
<I/σ(I)>	15.9
Completeness [%]	99.8
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.3	277	2.9 M ammonium sulfate, 0.1 M Bis-Tris-propane HCl buffer