2CB5

HUMAN BLEOMYCIN HYDROLASE, C73S/DELE455 MUTANT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	H 3 2
Unit cell lengths	179.512, 179.512, 164.148
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.850
R-factor	0.182
Rwork	0.182
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gcb
RMSD bond length	0.013
RMSD bond angle	22.000 *
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.970
High resolution limit [Å]	1.850	1.850
Rmerge	0.082 *
Total number of observations	317648 *
Number of reflections	77497
<I/σ(I)>	20.3
Completeness [%]	89.9 *	86.8
Redundancy	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8	17 *	pH 8.00

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	12 (mg/ml)
2	1	drop	Tris-HCl	25 (mM)
3	1	drop	glycerol	5 (%)
4	1	drop		140 (mM)
5	1	drop	dithiothreitol	1 (mM)
6	1	reservoir	PEG10000	16-20 (%)