4GEC

Crystal Structure of E.coli MenH R124A Mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	110
Detector technology	CCD
Collection date	2010-12-15
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.953692
Spacegroup name	I 41 2 2
Unit cell lengths	115.144, 115.144, 469.775
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	81.420 - 2.500
R-factor	0.1951
Rwork	0.194
R-free	0.22250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.060
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	MOLREP
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	117.444	81.419	2.640
High resolution limit [Å]	2.500	7.910	2.500
Rmerge	0.190	0.027	1.847
Total number of observations		25646	118624
Number of reflections	54795
<I/σ(I)>	17.6	77.8	1.8
Completeness [%]	99.4	99.7	99
Redundancy	14.9	13.2	15.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	Sodium Citrate, Ammonium sulfate, Lithium sulfate, pH 5.5, vapor diffusion, hanging drop, temperature 291K