4ZJ9

Small heat shock protein AgsA from Salmonella typhimurium: Alpha crystallin domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-01
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 41 21 2
Unit cell lengths	53.090, 53.090, 81.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.120 - 2.000
R-factor	0.22155
Rwork	0.220
R-free	0.25435
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3w1z
RMSD bond length	0.017
RMSD bond angle	1.991
Data reduction software	MOSFLM (7.0.9)
Data scaling software	SCALA
Phasing software	PHASER (2.5.1)
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.120	2.110
High resolution limit [Å]	2.000	2.000
Rmerge		0.719
Number of reflections	8413
<I/σ(I)>	22.9	4.2
Completeness [%]	99.8	100
Redundancy	13.8	14.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	25% Pentaerythritol propoxylate (5/4 PO/OH), 0.1M MES-NaOH, 20% MPD