5KED

Structure of the 2.65 Angstrom P2(1) crystal of K. pneumonia MrkH

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	2016-04-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.11
Spacegroup name	P 1 21 1
Unit cell lengths	53.512, 207.826, 53.915
Unit cell angles	90.00, 120.17, 90.00

Refinement procedure

Resolution	45.482 - 2.650
R-factor	0.2341
Rwork	0.231
R-free	0.27600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kgo
RMSD bond length	0.003
RMSD bond angle	0.626
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	103.913	2.790
High resolution limit [Å]	2.650	2.650
Rmerge		0.349
Number of reflections	27150
<I/σ(I)>	12.8	2.6
Completeness [%]	92.3	68.5
Redundancy	3.5	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	2 mM MgCl2, 2 mM CaCl2, 0.1 M sodium Hepes pH 7.5, 20% ethylene glycol and 10% PEG 8000.