7LQM

Glucosamie-6-phosphate Deaminase from Pasturella multocida

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9786
Spacegroup name	P 1 21 1
Unit cell lengths	84.796, 79.569, 85.295
Unit cell angles	90.00, 109.13, 90.00

Refinement procedure

Resolution	37.100 - 2.300
R-factor	0.2019
Rwork	0.200
R-free	0.23170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dea
Data reduction software	XDS (Jan 26, 2018)
Data scaling software	Aimless (0.6.3)
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.930	41.930	2.380
High resolution limit [Å]	2.300	8.910	2.300
Rmerge	0.036	0.021	0.203
Rmeas	0.043	0.026	0.247
Rpim	0.023	0.015	0.139
Total number of observations	156289	2529	13418
Number of reflections	47456	838	4648
<I/σ(I)>	17.7	43.9	4.4
Completeness [%]	99.3	96.6	99.5
Redundancy	3.3	3	2.9
CC(1/2)	0.998	0.994	0.972

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	100 mM Sodium Cacodylate/HCl pH 6.5, 200 mM Magnesium Chloride, 20 % PEG 1000.