4HKG

Crystal Structure of Free-Standing Peptidyl Carrier Protein from Uncharacterized Acinetobacter baumannii Secondary Metabolic Pathway

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-01-14
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.9795
Spacegroup name	P 65
Unit cell lengths	61.811, 61.811, 76.848
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.215 - 1.300
R-factor	0.1501
Rwork	0.149
R-free	0.16750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2afd model 1
RMSD bond length	0.005
RMSD bond angle	1.000
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.4.1)
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.320
High resolution limit [Å]	1.300	3.530	1.300
Rmerge	0.060	0.031	0.572
Number of reflections	40576
<I/σ(I)>	19.3
Completeness [%]	99.1	99.1	93.4
Redundancy	10.3	8.5	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	277	25% PEG400, 5% MPD, 50 mM CHES (pH 9), VAPOR DIFFUSION, HANGING DROP, temperature 277K