7ODJ

Exo-mannosidase from Cellvibrio mixtus bound to N-alkyl mannocyclophellitol aziridine

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-24
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97629
Spacegroup name	P 21 21 2
Unit cell lengths	91.815, 102.230, 50.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	68.403 - 1.300
Rwork	0.125
R-free	0.15770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1uuq
RMSD bond length	0.015
RMSD bond angle	1.917
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	68.403	68.310	1.320
High resolution limit [Å]	1.300	7.120	1.300
Rmerge	0.116	0.041	0.800
Rmeas	0.121	0.043	0.998
Rpim	0.035	0.011	0.586
Number of reflections	116329	844	4839
<I/σ(I)>	21.3
Completeness [%]	98.8	99.8	84.9
Redundancy	21.5	24.4	4.8
CC(1/2)	0.999	0.999	0.631

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	0.2 M ammonium sulfate, 24% PEG4000