4N5P

Thermolysin in complex with UBTLN20

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-19
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.91841
Spacegroup name	P 61 2 2
Unit cell lengths	92.491, 92.491, 130.891
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.161 - 1.250
R-factor	0.1143
Rwork	0.113
R-free	0.13400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8tln
RMSD bond length	0.006
RMSD bond angle	1.117
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1492))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.270
High resolution limit [Å]	1.250	1.250
Number of reflections	90096
<I/σ(I)>	42.9	6.2
Completeness [%]	98.5	86.4
Redundancy	12.7	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291.15	50 mM Tris/HCl, 1.9 M CsCl, 50% DMSO, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291.15K