6LZO

Thermolysin with 1,10-phenanthroline

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2017-05-27
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9795
Spacegroup name	P 61 2 2
Unit cell lengths	92.772, 92.772, 129.103
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.850 - 1.800
R-factor	0.1746
Rwork	0.172
R-free	0.21070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ig7
RMSD bond length	0.010
RMSD bond angle	1.553
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.086	0.377
Rmeas	0.090	0.405
Rpim	0.024	0.142
Number of reflections	30705	1490
<I/σ(I)>	34.5	4.233
Completeness [%]	99.0	98.7
Redundancy	10.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	294.15	Tris-HCl, glycerol, Ammonium sulfate