6IYH

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

Replaces:  5JGG

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	53.890, 62.290, 101.564
Unit cell angles	90.00, 97.67, 90.00

Refinement procedure

Resolution	52.970 - 1.700
R-factor	0.15957
Rwork	0.158
R-free	0.19560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bom
RMSD bond length	0.021
RMSD bond angle	1.999
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]	52.970	1.744
High resolution limit [Å]	1.700	1.700
Rmerge	0.123
Number of reflections	34936
<I/σ(I)>	7.1
Completeness [%]	100.0	100
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	292	0.1 M MES pH 6.5 and 12%(w/v) PEG 20000