6F79

Carboxypeptidase T mutant L211Q 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)	0.8
Spacegroup name	P 63 2 2
Unit cell lengths	157.960, 157.960, 104.850
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.850 - 1.900
R-factor	0.12794
Rwork	0.127
R-free	0.14715
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qnv
RMSD bond length	0.009
RMSD bond angle	1.313
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.107	0.260
Number of reflections	60927	8747
<I/σ(I)>	4.4391	2.75
Completeness [%]	100.0	100
Redundancy	20.62	20.89

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION		296	1,4 SA