4MTW

Thermolysin in complex with UBTLN36

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	2012-03-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.91841
Spacegroup name	P 61 2 2
Unit cell lengths	92.563, 92.563, 131.113
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.776 - 1.320
R-factor	0.1222
Rwork	0.120
R-free	0.15400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8tln
RMSD bond length	0.006
RMSD bond angle	1.093
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.3_1479))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.340
High resolution limit [Å]	1.320	1.320
Number of reflections	76659
<I/σ(I)>	20.1	2.25
Completeness [%]	98.0	84.1
Redundancy	4.1	2.2

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