3ECX

Carbonmonoxy Sperm Whale Myoglobin at 100 K: Laser on [30 min]

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW14A
Synchrotron site	Photon Factory
Beamline	AR-NW14A
Temperature [K]	100
Detector technology	CCD
Collection date	2008-02-20
Detector	MAR CCD 165 mm
Wavelength(s)	0.827
Spacegroup name	P 1 21 1
Unit cell lengths	34.325, 30.612, 63.634
Unit cell angles	90.00, 105.38, 90.00

Refinement procedure

Resolution	16.510 - 1.210
R-factor	0.158
Rwork	0.155
R-free	0.21100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mbc
RMSD bond length	0.023
RMSD bond angle	2.070
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.250
High resolution limit [Å]	1.210	2.610	1.210
Rmerge	0.047	0.028	0.385
Number of reflections	37073
<I/σ(I)>	11.5
Completeness [%]	95.0	92.6	71.1
Redundancy	3.6	3.6	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	batch	6	293	2.4M Ammonium sulfate, 10mM TrisHCl, 100mM Sodium phosphate, pH 6.0, batch, temperature 293K