3MOM

Structure of holo HasAp H32A mutant complexed with imidazole from Pseudomonas aeruginosa to 2.25A Resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2010-01-18
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 1 2 1
Unit cell lengths	47.373, 46.378, 81.088
Unit cell angles	90.00, 97.10, 90.00

Refinement procedure

Resolution	24.640 - 2.250
R-factor	0.217
Rwork	0.214
R-free	0.26700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mok
RMSD bond length	0.018
RMSD bond angle	1.617
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]	30.000	30.000	2.330
High resolution limit [Å]	2.250	4.840	2.250
Rmerge	0.116	0.056	0.535
Number of reflections	16389
<I/σ(I)>	8.3
Completeness [%]	96.6	97.2	91.8
Redundancy	2.9	2.9	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	10% (w/v) PEG 8000, 100 mM imidazole, pH 8.0, vapor diffusion, hanging drop, temperature 293K