3PMA

2.2 Angstrom crystal structure of the complex between Bovine Thrombin and Sucrose Octasulfate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	104
Detector technology	IMAGE PLATE
Collection date	2004-06-07
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	87.562, 87.562, 191.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.800 - 2.200
R-factor	0.20574
Rwork	0.204
R-free	0.24456
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mkx
RMSD bond length	0.008
RMSD bond angle	1.244
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	REFMAC (5.5.0088)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.920	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.083	0.311
Number of reflections	38745
<I/σ(I)>	13.4	6.3
Completeness [%]	99.8	100
Redundancy	7.87	9.03

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	295	3 microliters Bovine thrombin, 7 mg/ml in 0.01M Tris-HCl, ph 8.0, 0.05M NaCl, 0.1M sodium citrate, 20% w/v, VAPOR DIFFUSION, HANGING DROP, temperature 295K