3MVC

High resolution crystal structure of the heme domain of GLB-6 from C. elegans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	200
Detector technology	CCD
Collection date	2009-12-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.1158
Spacegroup name	P 1 21 1
Unit cell lengths	37.582, 76.347, 62.696
Unit cell angles	90.00, 91.76, 90.00

Refinement procedure

Resolution	33.705 - 1.401
R-factor	0.1629
Rwork	0.161
R-free	0.20500
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.854
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.420
High resolution limit [Å]	1.400	1.400
Number of reflections	130779
<I/σ(I)>	21.5
Completeness [%]	98.3	95.1
Redundancy	4.2	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	1.0 M NaNO3 and 0.1 M Na(CH3COO) pH 4.5) and 1 ul of 10 mM praseodymium (III) acetate solution, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	1.0 M NaNO3 and 0.1 M Na(CH3COO) pH 4.5) and 1 ul of 10 mM praseodymium (III) acetate solution, VAPOR DIFFUSION, SITTING DROP, temperature 293K