6J4N

Structure of papua new guinea MBL-1(PNGM-1) native

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	CCD
Collection date	2013-05-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97940
Spacegroup name	P 1 21 1
Unit cell lengths	122.274, 83.017, 163.469
Unit cell angles	90.00, 110.55, 90.00

Refinement procedure

Resolution	45.390 - 2.100
R-factor	0.1928
Rwork	0.190
R-free	0.24390
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.758
Data reduction software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.090	0.050	0.227
Total number of observations	1318149
Number of reflections	175405	8994	8684
<I/σ(I)>	14.1
Completeness [%]	98.2	97.6	97.5
Redundancy	7.5	7.4	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7	287	0.1M Tris-HCl, 0.2M MgCl2, 10% PEG 8000