6ICM

Pseudomonas putida CBB5 NdmA with ferredoxin domain of NdmD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2018-01-30
Detector	BRUKER SMART 6500
Wavelength(s)	0.9
Spacegroup name	P 61 2 2
Unit cell lengths	118.265, 118.265, 455.692
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.460 - 2.961
R-factor	0.2065
Rwork	0.204
R-free	0.26120
RMSD bond length	0.034
RMSD bond angle	1.136
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.067
High resolution limit [Å]	2.950	2.961
Rmeas	0.122
Number of reflections	40519
<I/σ(I)>	42.9
Completeness [%]	99.7
Redundancy	17.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M bicine/tris pH 8.5, 0.02M monosaccharides, 10% w/v PEG 20000, 20% v/v PEG MME 500