1EJM

CRYSTAL STRUCTURE OF THE BPTI ALA16LEU MUTANT IN COMPLEX WITH BOVINE TRYPSIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF
Synchrotron site	ESRF
Temperature [K]	120
Detector technology	CCD
Collection date	1999-06-18
Detector	ADSC QUANTUM 4
Spacegroup name	I 41 2 2
Unit cell lengths	180.870, 180.870, 170.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.850
R-factor	0.211 *
Rwork	0.211
R-free	0.23300
RMSD bond length	0.005
RMSD bond angle	24.800 *
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.950
High resolution limit [Å]	1.850	1.850
Rmerge	0.071	0.412
Total number of observations	1360301 *
Number of reflections	119391
<I/σ(I)>	5.4
Completeness [%]	99.4	99.3
Redundancy	7.4	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	310	Helland, R., (1999) J. Mol. Biol., 287, 923. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	27 (mg/ml)
2	1	reservoir	ammonium sulfate	48-50 (%sat)
3	1	reservoir	HEPES	0.1 (M)