3TM3

Wild-type hemoglobin from Vitreoscilla stercoraria

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	110
Detector technology	CCD
Collection date	2010-03-06
Detector	RAYONIX MX-225
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	75.156, 99.013, 41.015
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.932 - 1.750
R-factor	0.1737
Rwork	0.170
R-free	0.20410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.087
Data reduction software	X-GEN
Data scaling software	X-GEN
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.200	32.100	1.761
High resolution limit [Å]	1.700	3.663	1.700
Rmerge	0.055	0.026	0.529
Number of reflections	32704
<I/σ(I)>	10.21	31.7	1.237
Completeness [%]	98.8	94.7	100
Redundancy	3.05	2.87	3.04

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	25 mg/mL protein in 1.6M (NH4)2SO4, 0.05M NaH2P2O7, 3% ethylene glycol, streak-seeded, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K