7BVK

UDP-N-acetylglucosamine 3-dehydrogenase GnnA from Acidithiobacillus ferrooxidans (P212121)

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	2019-12-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.999999
Spacegroup name	P 21 21 21
Unit cell lengths	73.535, 80.489, 104.272
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.760 - 2.700
R-factor	0.2195
Rwork	0.215
R-free	0.29370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7bvj
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.17.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.760	19.760	2.830
High resolution limit [Å]	2.700	8.960	2.700
Rmerge	0.213	0.135	1.002
Rmeas	0.230	0.148	1.079
Rpim	0.086	0.059	0.397
Total number of observations	125291	2967	16748
Number of reflections	17552	492	2292
<I/σ(I)>	6.5	11.5	2.3
Completeness [%]	99.7	90.6	100
Redundancy	7.1	6	7.3
CC(1/2)	0.990	0.987	0.876

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	5.5	289	100 mM Bis-Tris, 200 mM Ammonium Sulfate, 25% PEG 3350