4HX4

Structure of MNTR mutant E11K complexed with Mn2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-08-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.1159
Spacegroup name	P 1 21 1
Unit cell lengths	49.427, 46.081, 74.892
Unit cell angles	90.00, 92.96, 90.00

Refinement procedure

Resolution	30.330 - 1.650
R-factor	0.23534
Rwork	0.234
R-free	0.26444
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2f5d
RMSD bond length	0.008
RMSD bond angle	1.120
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.790	1.740
High resolution limit [Å]	1.650	1.650
Rmerge	0.052	0.360
Number of reflections	40214
<I/σ(I)>	22.2	2.2
Completeness [%]	98.8	97.4
Redundancy	3.56

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	22% ETHYLENE GLYCOL, 55 MM LITHIUM SULFATE, 2 MM MANGANESE CHLORIDE, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K