4KNK

Crystal structure of Staphylococcus aureus hydrolase AmiA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-12-09
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.00000
Spacegroup name	C 1 2 1
Unit cell lengths	96.800, 81.680, 68.690
Unit cell angles	90.00, 128.84, 90.00

Refinement procedure

Resolution	40.840 - 1.124
R-factor	0.1218
Rwork	0.121
R-free	0.13890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lat
RMSD bond length	0.009
RMSD bond angle	1.328
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.164	1.150
High resolution limit [Å]	1.120	1.120
Number of reflections	146370
<I/σ(I)>	21.1	1.8
Completeness [%]	92.4	59.7
Redundancy	6	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	0.1 M MES/imidazole, pH 6.5, 0.02 M sodium formate, 0.02 M ammonium acetate, 0.02 M sodium citrate, 0.02 M racemic sodium/potassium tartrate, 0.02 M sodium oxamate, 12.5% w/v PEG1000, 12.5% w/v PEG3350, 12.5% w/v MPD, VAPOR DIFFUSION, HANGING DROP, temperature 295K