4IT8

A sperm whale myoglobin mutant L29H Mb with two distal histidines

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	39.899, 48.433, 78.923
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.607 - 1.500
R-factor	0.1729
Rwork	0.172
R-free	0.18660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Myoglobin L29H/F43H mutant
RMSD bond length	0.010
RMSD bond angle	1.367
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.607	1.690	1.530
High resolution limit [Å]	1.500	1.650	1.500
Rmerge	0.006
Number of reflections	25185
<I/σ(I)>	19.7
Completeness [%]	14.5	99.9	99.7
Redundancy	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	0.2 M Sodium acetate trihydrate, 0.1 M Sodium cacodylate trihydrate, 30% w/v Polyethylene glycol 8,000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K