1N6X

RIP-phasing on Bovine Trypsin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2001-06-13
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	54.209, 56.658, 66.126
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.000 * - 1.400
R-factor	0.13919
Rwork	0.138
R-free	0.16700 *
Structure solution method	RIP - Radiation-Damage Induced Phasing
RMSD bond length	0.016
RMSD bond angle	1.626
Data scaling software	SCALA
Phasing software	SHELXD
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000 *	1.470
High resolution limit [Å]	1.400	1.400
Rmerge	0.047	0.227
Number of reflections	40997
<I/σ(I)>	11.3	3.6
Completeness [%]	99.7 *	98.3
Redundancy	13.4	12.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	25% polyethylene glycol (PEG) 8000, 0.2 M ammonium sulphate, 0.1 M Tris buffer, pH 8, and 100 mM benzylamine, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	25 (%)
2	1	reservoir	ammonium sulfate	0.2 (M)
3	1	reservoir	Tris	0.1 (M)	pH8.
4	1	reservoir	benzylamine	100 (mM)
5	1	drop	protein	15 (mg/ml)