3PS9

Crystal structure of MnmC from E. coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-28
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0750
Spacegroup name	P 41 21 2
Unit cell lengths	100.063, 100.063, 159.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.540
R-factor	0.18502
Rwork	0.182
R-free	0.24661
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.405
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP (10.2.23)
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.540	2.540
Rmerge	0.229	0.132
Number of reflections	26488
<I/σ(I)>	11.4	2.4
Completeness [%]	96.9
Redundancy	11.9	12.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	1.8M tri-ammonium citrate, PH 7.0, 0.5% ethyl acetate, VAPOR DIFFUSION, SITTING DROP, temperature 293K