5K18

The NatB Acetyltransferase Complex Bound To bisubstrate inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17B1
Synchrotron site	SSRF
Beamline	BL17B1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.93911
Spacegroup name	P 1
Unit cell lengths	83.054, 91.087, 101.740
Unit cell angles	70.12, 88.91, 84.05

Refinement procedure

Resolution	35.740 - 2.730
R-factor	0.189
Rwork	0.187
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5k04
RMSD bond length	0.009
RMSD bond angle	1.455
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.750	2.750
Rmerge	0.096	0.647
Number of reflections	90683
<I/σ(I)>	6.5
Completeness [%]	98.9	98.3
Redundancy	3.9	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	298	NaCl, PEG4000, glycerol,1,3-butanediol and DTT