1TBZ

HUMAN THROMBIN WITH ACTIVE SITE N-METHYL-D PHENYLALANYL-N-[5-(AMINOIMINOMETHYL)AMINO]-1-{{BENZOTHIAZOLYL)CARBONYL] BUTYL]-L-PROLINAMIDE TRIFLUROACETATE AND EXOSITE-HIRUGEN

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1993-04
Detector	SIEMENS
Spacegroup name	C 1 2 1
Unit cell lengths	70.790, 72.530, 73.120
Unit cell angles	90.00, 101.00, 90.00

Refinement procedure

Resolution	7.000 - 2.300
R-factor	0.158 *
Rwork	0.158
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fpc
RMSD bond length	0.015
RMSD bond angle	0.044
Data reduction software	XENGEN
Data scaling software	XENGEN
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]		2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.054
Number of reflections	15300
Completeness [%]	75.0	50
Redundancy	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.3		0.1M PHOSPHATE BUFFER AT PH 7.3, 27-28% PEG 8000. HANGING DROPS AND MACROSEEDING ., vapor diffusion - hanging drop - macroseeding

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	phosphate	0.1 (M)
2	1	reservoir	PEG8000	27-28 (%)