6ICL

Pseudomonas putida CBB5 NdmB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 63 2 2
Unit cell lengths	98.553, 98.553, 174.441
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.452 - 2.100
R-factor	0.1973
Rwork	0.196
R-free	0.22170
RMSD bond length	0.012
RMSD bond angle	1.137
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	2.168
High resolution limit [Å]	2.100	2.100
Rmeas	0.062
Number of reflections	30303
<I/σ(I)>	60
Completeness [%]	94.6
Redundancy	12.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M Tris-HCl pH 8.5, 0.5M NaCl, 5.36% w/v PEG 8000, 20.1% v/v MPD