2XE1

Molecular insights into clinically isolated OmpC mutants and their role in multi-drug resistance

Replaces:  2IXX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 63 2 2
Unit cell lengths	120.400, 120.400, 158.100
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.030 - 2.500
R-factor	0.19414
Rwork	0.193
R-free	0.21812
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1osm
RMSD bond length	0.005
RMSD bond angle	0.881
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0060)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.000	2.500
High resolution limit [Å]	2.500	2.500
Rmerge	0.100	0.520
Number of reflections	22833
<I/σ(I)>	14	3.4
Completeness [%]	99.5	99.5
Redundancy	9	9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1