4MAX

Crystal structure of Synechococcus sp. PCC 7002 globin at cryogenic temperature with heme modification

Replaces:  4I0V

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-09-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.10
Spacegroup name	P 41 21 2
Unit cell lengths	68.791, 68.791, 156.059
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.490 - 1.444
R-factor	0.1742
Rwork	0.173
R-free	0.19370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rtx
RMSD bond length	0.016
RMSD bond angle	1.717
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.480
High resolution limit [Å]	1.444	3.940	1.444
Rmerge	0.087	0.074	0.382
Number of reflections	67233
<I/σ(I)>	11		4.544
Completeness [%]	98.9	99.9	95.5
Redundancy	13.2	12.3	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	7% glycerol, 2 M ammonium sulfate, 0.1 M Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K