5V3U

Crystal Structure of the Group II Truncated Hemoglobin from Bacillus Anthracis: Trp90Leu mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-06-25
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	50.216, 122.162, 112.934
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.950 - 2.500
R-factor	0.193
Rwork	0.189
R-free	0.22400
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	1.010
Data reduction software	d*TREK (9.9.9.1LDz)
Data scaling software	d*TREK
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.950	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.085	0.536
Number of reflections	12420
<I/σ(I)>	9.6	2.3
Completeness [%]	99.9	100
Redundancy	7.15	7.24

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	2.5 M Ammonium sulphate