2UUF

Thrombin-hirugen binary complex at 1.26A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX10.1
Synchrotron site	SRS
Beamline	PX10.1
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	70.275, 71.290, 72.037
Unit cell angles	90.00, 99.90, 90.00

Refinement procedure

Resolution	49.390 - 1.260
R-factor	0.146
R-free	0.19400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	THROMBIN-HIRUGEN BINARY COMPLEX
RMSD bond length	0.013
RMSD bond angle	0.033
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	REFMAC (5)
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.390	1.330
High resolution limit [Å]	1.260	1.260
Rmerge	0.060	0.510
Number of reflections	89355
<I/σ(I)>	7.6	1.5
Completeness [%]	94.7	93
Redundancy	3.8	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		CRYSTALS WERE GROWN BY MACROSEEDING A SOLUTION OF 100MM HEPES PH 7.0, 28% PEG4K, 500MM NACL.