3MOK

Structure of Apo HasAp from Pseudomonas aeruginosa to 1.55A Resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-BM
Synchrotron site	APS
Beamline	17-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2009-01-29
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	32.984, 65.247, 38.343
Unit cell angles	90.00, 110.48, 90.00

Refinement procedure

Resolution	35.920 - 1.550
R-factor	0.154
Rwork	0.152
R-free	0.17800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ell
RMSD bond length	0.014
RMSD bond angle	1.434
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (refmac_5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.610
High resolution limit [Å]	1.550	3.340	1.550
Rmerge	0.076	0.054	0.323
Number of reflections	21268
<I/σ(I)>	10
Completeness [%]	96.5	99	72.4
Redundancy	3.7	3.8	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	293	1.6 M NaH2PO4/0.4 M K2HPO4, 100 mM phosphate-citrate, pH 4.2, vapor diffusion, hanging drop, temperature 293K