6IYI

X-ray sequence and high resolution crystal structure of Starry sturgeon methemoglobin

Replaces:  5JNZ

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BSRF BEAMLINE 1W2B
Synchrotron site	BSRF
Beamline	1W2B
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-24
Detector	MAR CCD 165 mm
Wavelength(s)	0.9792
Spacegroup name	I 1 2 1
Unit cell lengths	53.980, 61.410, 102.366
Unit cell angles	90.00, 97.75, 90.00

Refinement procedure

Resolution	52.530 - 2.200
R-factor	0.14046
Rwork	0.138
R-free	0.19495
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bom
RMSD bond length	0.018
RMSD bond angle	1.863
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0155; 7.0.018)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.530	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.063	0.096
Number of reflections	16020
<I/σ(I)>	15.8	11.8
Completeness [%]	99.1	98.9
Redundancy	3.8	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	292	0.1M Hepes sodium pH 7.5, 20%(w/v) PEG4000 and 10%(v/v) 2-Propanol