9PQN

Crystal structure of maltose binding protein (Apo), mutant Trp340 to 4-Cyanotryptophan

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953724371
Spacegroup name	P 1 21 1
Unit cell lengths	43.855, 64.429, 57.353
Unit cell angles	90.00, 101.01, 90.00

Refinement procedure

Resolution	43.050 - 1.370
R-factor	0.1775
Rwork	0.176
R-free	0.21030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.071
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21rc1_5058: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.050	1.390
High resolution limit [Å]	1.370	1.370
Number of reflections	65227	3144
<I/σ(I)>	10
Completeness [%]	99.3
Redundancy	6.9
CC(1/2)	0.999	0.403

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298.5	30% v/v PEG400, 100 mM sodium acetate, pH 4.6, 100 mM cadmium chloride