6YPA

The C146A variant of an amidase from Pyrococcus horikoshii with bound glutaramide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2010-02-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	77.684, 100.639, 134.096
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	80.492 - 1.580
R-factor	0.2082
Rwork	0.206
R-free	0.23980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1j31
Data reduction software	DIALS
Data scaling software	xia2
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.640	100.840	1.610
High resolution limit [Å]	1.580	4.290	1.580
Rmeas	0.125	0.043	2.971
Rpim	0.042	0.015	1.036
Total number of observations	1264338	65516	57570
Number of reflections	144086	7653	7104
<I/σ(I)>	8.8	46.1	0.4
Completeness [%]	100.0	100	99.8
Redundancy	8.8	8.6	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		300	2.5-4.0 mg/ml protein, 0.1 M Imidazole, MES monohydrate (acid) buffer at pH 6.5, 20% v/v Glycerol, 10% w/v PEG 4000, 0.2M Glutaramide