6CMK

Crystal structure of Citrobacter koseri AztD

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	2017-05-19
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	54.230, 128.790, 56.850
Unit cell angles	90.00, 105.20, 90.00

Refinement procedure

Resolution	64.395 - 1.732
R-factor	0.154
Rwork	0.153
R-free	0.18840
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.947
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.400	1.760
High resolution limit [Å]	1.730	1.730
Rmerge	0.061	0.366
Rmeas	0.073	0.438
Rpim	0.040	0.237
Number of reflections	77405	4202
<I/σ(I)>	10.2	2.7
Completeness [%]	99.2	98.6
Redundancy	3.2	3.1
CC(1/2)	0.997	0.868

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