6F6Q

Carboxypeptidase T mutant L254N with Sulphamoil Arginine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.85
Spacegroup name	P 63 2 2
Unit cell lengths	157.810, 157.810, 103.940
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.770 - 1.790
R-factor	0.11608
Rwork	0.115
R-free	0.13127
RMSD bond length	0.008
RMSD bond angle	1.338
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.820	1.890
High resolution limit [Å]	1.790	1.790
Rmerge	0.110	0.310
Number of reflections	71613	10121
<I/σ(I)>	4.5902	2.4
Completeness [%]	99.7	97.86
Redundancy	30.63	9.44

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION		296	SA 1.4%