4BW9

PylRS Y306G, Y384F, I405R mutant in complex with AMP-PNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-11-10
Detector	DECTRIS PILATUS
Spacegroup name	P 64
Unit cell lengths	105.742, 105.742, 69.674
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.290 - 2.350
R-factor	0.17594
Rwork	0.174
R-free	0.20372
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1q7e
RMSD bond length	0.013
RMSD bond angle	1.701
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	2.480
High resolution limit [Å]	2.350	2.350
Rmerge	0.060	0.700
Number of reflections	18610
<I/σ(I)>	20.1	3.6
Completeness [%]	100.0	100
Redundancy	8.4	8.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.1 M SODIUM ACETATE, 15% PEG3350