3UBC

Oxygen-bound hell's gate globin I by LB nanotemplate method

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Detector technology	CCD
Collection date	2011-09-30
Detector	ADSC QUANTUM 315r
Spacegroup name	C 2 2 21
Unit cell lengths	70.227, 126.533, 148.236
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.120 - 1.650
R-factor	0.20847
Rwork	0.207
R-free	0.23979
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.033
RMSD bond angle	2.498
Data scaling software	SCALA (3.3.16)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	74.120	48.120	1.740
High resolution limit [Å]	1.650	5.220	1.650
Rmerge		0.030	0.789
Number of reflections	79514
<I/σ(I)>	17.1	19.1	1
Completeness [%]	100.0	99.2	100
Redundancy	7.3	6.9	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LB NANOTEMPLATE			LB NANOTEMPLATE