5K04

The NatB Acetyltransferase Complex Bound To CoA and MES

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-30
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97927
Spacegroup name	P 43 21 2
Unit cell lengths	108.450, 108.450, 223.294
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.817 - 2.400
R-factor	0.2002
Rwork	0.199
R-free	0.23880
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.891
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.370
High resolution limit [Å]	2.330	6.290	2.330
Rmerge	0.138	0.080	0.746
Total number of observations	616156
Number of reflections	57791
<I/σ(I)>	9.8
Completeness [%]	99.1	99.9	82
Redundancy	10.7	11	9.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	298	PEG600, PEG1000, Glycerol,1,3-butanediol, DTT