7XF9

Crystal structure of human bleomycin hydrolase H372A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	80
Detector technology	CCD
Collection date	2021-06-12
Detector	RAYONIX MX300-HS
Wavelength(s)	1
Spacegroup name	I 41 3 2
Unit cell lengths	315.339, 315.339, 315.339
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.550 - 3.200
R-factor	0.2191
Rwork	0.218
R-free	0.24180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7v5t
RMSD bond length	0.004
RMSD bond angle	1.300
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.310
High resolution limit [Å]	3.200	3.200
Number of reflections	43971	4327
<I/σ(I)>	14.12	9.17
Completeness [%]	100.0	100
Redundancy	30.9	27.7
CC(1/2)	0.986	0.981

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	293	30% (w/v) PEG 400, 0.1mM CHES