5L77

A glycoside hydrolase mutant with an unreacted activity based probe bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-01-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97949
Spacegroup name	C 1 2 1
Unit cell lengths	150.170, 45.120, 82.040
Unit cell angles	90.00, 115.11, 90.00

Refinement procedure

Resolution	28.880 - 1.240
R-factor	0.13084
Rwork	0.129
R-free	0.16028
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vyo
RMSD bond length	0.016
RMSD bond angle	1.734
Data reduction software	xia2
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall
Low resolution limit [Å]	28.880
High resolution limit [Å]	1.240
Number of reflections	126454
<I/σ(I)>	13.7
Completeness [%]	89.8
Redundancy	3.9
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	12 mg/mL protein stock in mixed 1:1 with 1.2 M NaH2PO4/K2HPO4 (1:9 v/v) at 293 K.