7VT7

Crystal structure of CBM deleted MtGlu5 in complex with CBI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2021-08-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	49.729, 75.293, 83.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.940 - 1.530
R-factor	0.1493
Rwork	0.148
R-free	0.17460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mmu
RMSD bond length	0.010
RMSD bond angle	1.104
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.580
High resolution limit [Å]	1.530	1.530
Rmerge	0.052	0.260
Rmeas	0.062	0.302
Rpim	0.032	0.151
Number of reflections	46830	4737
<I/σ(I)>	31.66
Completeness [%]	97.3
Redundancy	3.7
CC(1/2)		0.945

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		298	20mM Tris, 100mM NaCl, pH 8.0