6N01

Structure of apo AztD from Citrobacter koseri

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-30
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	56.866, 127.854, 113.155
Unit cell angles	90.00, 94.51, 90.00

Refinement procedure

Resolution	48.431 - 1.980
R-factor	0.1954
Rwork	0.195
R-free	0.23790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6cmk
RMSD bond length	0.013
RMSD bond angle	1.259
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.430	2.010
High resolution limit [Å]	1.980	1.980
Rmerge	0.072	0.524
Rmeas	0.085	0.621
Rpim	0.044	0.326
Number of reflections	110365	16782
<I/σ(I)>	9.7	2.1
Completeness [%]	98.6	96.4
Redundancy	3.4	3.1
CC(1/2)	0.997	0.758

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	6	292	10 mg/mL protein was combined in a 1:1 ratio with 24% PEG 4000, 0.1 M sodium nitrate, 0.1 M MES pH 6.0